2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C14H25ClN4O4S — CID 119461302

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C14H24N4O4S.ClH/c1-9-13(11(3)22-17-9)23(20,21)18-10(2)14(19)16-8-12-5-4-6-15-7-12;/h10,12,15,18H,4-8H2,1-3H3,(H,16,19);1H
InChIKeyRTLSBXHRRLXNQW-UHFFFAOYSA-N
MW380.90 g/mol
LogP0.50
Rot. Bonds6

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119461302) has the molecular formula C14H25ClN4O4S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119461302
Molecular FormulaC14H25ClN4O4S
Molecular Weight380.90 g/mol
Exact Mass380.13
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCc1noc(C)c1S(=O)(=O)NC(C)C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C14H24N4O4S.ClH/c1-9-13(11(3)22-17-9)23(20,21)18-10(2)14(19)16-8-12-5-4-6-15-7-12;/h10,12,15,18H,4-8H2,1-3H3,(H,16,19);1H
InChIKeyRTLSBXHRRLXNQW-UHFFFAOYSA-N
XLogP0.50
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278
(2S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 55937481
N-(2-pyrrolidin-3-ylethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119535173
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455
(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119243729
cis-(1S,3R)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]cyclopentane-1-carboxylic acid
CID 120676458
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805706
N-[1-[4-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 119423221
3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119974164
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
3-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119464222

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119461302) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cc1noc(C)c1S(=O)(=O)NC(C)C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is RTLSBXHRRLXNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O4S.ClH/c1-9-13(11(3)22-17-9)23(20,21)18-10(2)14(19)16-8-12-5-4-6-15-7-12;/h10,12,15,18H,4-8H2,1-3H3,(H,16,19);1H.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119461302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).