3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

C11H17N3O3S — CID 94149516

IUPAC3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCNS(C)(=O)=O)c1ccncc1
InChIInChI=1S/C11H17N3O3S/c1-9(10-3-6-12-7-4-10)14-11(15)5-8-13-18(2,16)17/h3-4,6-7,9,13H,5,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyUUURFKLXUCYOMR-VIFPVBQESA-N
MW271.34 g/mol
LogP0.20
Rot. Bonds6

About 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (PubChem CID 94149516) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
PubChem CID94149516
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCNS(C)(=O)=O)c1ccncc1
InChIInChI=1S/C11H17N3O3S/c1-9(10-3-6-12-7-4-10)14-11(15)5-8-13-18(2,16)17/h3-4,6-7,9,13H,5,8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyUUURFKLXUCYOMR-VIFPVBQESA-N
XLogP0.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
3-[(3-acetylphenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 52990856
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34762575
4-[2-(methanesulfonamido)ethyl]-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 30480070
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
5-amino-4-methyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 82016946
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
CID 42959318
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (CID 94149516) is 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is C[C@H](NC(=O)CCNS(C)(=O)=O)c1ccncc1.
What is the InChIKey of 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is UUURFKLXUCYOMR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9(10-3-6-12-7-4-10)14-11(15)5-8-13-18(2,16)17/h3-4,6-7,9,13H,5,8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 271.34 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 94149516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).