3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C14H25ClN4O4S — CID 120584572

IUPAC3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C14H24N4O4S.ClH/c1-10-14(11(2)22-17-10)23(20,21)18-8-4-3-5-12(18)9-16-13(19)6-7-15;/h12H,3-9,15H2,1-2H3,(H,16,19);1H
InChIKeyKTRSTHFBLCPIPI-UHFFFAOYSA-N
MW380.90 g/mol
LogP0.72
Rot. Bonds6

About 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120584572) has the molecular formula C14H25ClN4O4S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120584572
Molecular FormulaC14H25ClN4O4S
Molecular Weight380.90 g/mol
Exact Mass380.13
IUPAC Name3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C14H24N4O4S.ClH/c1-10-14(11(2)22-17-10)23(20,21)18-8-4-3-5-12(18)9-16-13(19)6-7-15;/h12H,3-9,15H2,1-2H3,(H,16,19);1H
InChIKeyKTRSTHFBLCPIPI-UHFFFAOYSA-N
XLogP0.72
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methanamine;hydrochloride
CID 119969248
3-amino-N-[[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584705
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]cyclopropanamine
CID 63879299
3-amino-N-[[1-(2,6-dichlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584768
3-amino-N-[[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584439
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]acetic acid
CID 61010548
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidin-2-yl]acetic acid
CID 61370109
3-amino-N-[[1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120713493
3-amino-N-[[1-(2,3-dimethyl-6-nitrophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584481
3-amino-N-[[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]methyl]propanamide
CID 120584695
3-amino-N-[[1-(2-cyano-3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propanamide;hydrochloride
CID 120584502

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120584572) is 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cc1noc(C)c1S(=O)(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is KTRSTHFBLCPIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S.ClH/c1-10-14(11(2)22-17-10)23(20,21)18-8-4-3-5-12(18)9-16-13(19)6-7-15;/h12H,3-9,15H2,1-2H3,(H,16,19);1H.
What are the key properties of 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120584572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).