3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C15H30ClN3O4S — CID 120578118

IUPAC3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CC(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C15H29N3O4S.ClH/c1-12(2)10-23(21,22)11-15(20)18-8-4-3-5-13(18)9-17-14(19)6-7-16;/h12-13H,3-11,16H2,1-2H3,(H,17,19);1H
InChIKeyYLOXPMHRTUAXIP-UHFFFAOYSA-N
MW383.94 g/mol
LogP0.33
Rot. Bonds8

About 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578118) has the molecular formula C15H30ClN3O4S and a molecular weight of 383.94 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578118
Molecular FormulaC15H30ClN3O4S
Molecular Weight383.94 g/mol
Exact Mass383.16
IUPAC Name3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCC(C)CS(=O)(=O)CC(=O)N1CCCCC1CNC(=O)CCN.Cl
InChIInChI=1S/C15H29N3O4S.ClH/c1-12(2)10-23(21,22)11-15(20)18-8-4-3-5-13(18)9-17-14(19)6-7-16;/h12-13H,3-11,16H2,1-2H3,(H,17,19);1H
InChIKeyYLOXPMHRTUAXIP-UHFFFAOYSA-N
XLogP0.33
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.94
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

N-[3-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-3-oxopropyl]-3-methylbutanamide
CID 120578067
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(3-ethyl-4-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578716
3-amino-N-[[1-(2-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579366
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]butanamide
CID 120578111
3-amino-N-[[1-(2-methylpentanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579826
3-amino-N-[[1-(cyclohexanecarbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578280
N-[2-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120579455
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
3-amino-N-[[1-(azetidine-3-carbonyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 122084349
3-amino-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579244

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578118) is 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is CC(C)CS(=O)(=O)CC(=O)N1CCCCC1CNC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is YLOXPMHRTUAXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S.ClH/c1-12(2)10-23(21,22)11-15(20)18-8-4-3-5-13(18)9-17-14(19)6-7-16;/h12-13H,3-11,16H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 383.94 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(2-methylpropylsulfonyl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).