3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide

C10H17N3O3S2 — CID 124606976

IUPAC3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCNS(C)(=O)=O)c1nccs1
InChIInChI=1S/C10H17N3O3S2/c1-3-8(10-11-6-7-17-10)13-9(14)4-5-12-18(2,15)16/h6-8,12H,3-5H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyICQCUBNLGMLORG-QMMMGPOBSA-N
MW291.40 g/mol
LogP0.65
Rot. Bonds7

About 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide

3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide (PubChem CID 124606976) has the molecular formula C10H17N3O3S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
PubChem CID124606976
Molecular FormulaC10H17N3O3S2
Molecular Weight291.40 g/mol
Exact Mass291.07
IUPAC Name3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide
SMILESCC[C@H](NC(=O)CCNS(C)(=O)=O)c1nccs1
InChIInChI=1S/C10H17N3O3S2/c1-3-8(10-11-6-7-17-10)13-9(14)4-5-12-18(2,15)16/h6-8,12H,3-5H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyICQCUBNLGMLORG-QMMMGPOBSA-N
XLogP0.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(1,3-thiazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 99628577
2-(4-sulfanylphenyl)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 107030803
2-cyclopentyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630332
2-(cyclopropylmethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119890777
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
2-[4-(dimethylamino)phenyl]-N-[1-(1,3-thiazol-2-yl)propyl]acetamide
CID 91765781
2,2-dimethyl-3-oxo-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 82821210
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
3-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119954007
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide (CID 124606976) is 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide is CC[C@H](NC(=O)CCNS(C)(=O)=O)c1nccs1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
The InChIKey is ICQCUBNLGMLORG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O3S2/c1-3-8(10-11-6-7-17-10)13-9(14)4-5-12-18(2,15)16/h6-8,12H,3-5H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide?
3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]propanamide is sourced from PubChem (CID 124606976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).