N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide

C15H31N3O3S — CID 50957823

IUPACN-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide
SMILESCC(NS(C)(=O)=O)C(=O)N(CCN1CCCCCC1)C(C)C
InChIInChI=1S/C15H31N3O3S/c1-13(2)18(15(19)14(3)16-22(4,20)21)12-11-17-9-7-5-6-8-10-17/h13-14,16H,5-12H2,1-4H3
InChIKeyPWOUKFXCLPETSD-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.04
Rot. Bonds7

About N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide

N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide (PubChem CID 50957823) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide
PubChem CID50957823
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide
SMILESCC(NS(C)(=O)=O)C(=O)N(CCN1CCCCCC1)C(C)C
InChIInChI=1S/C15H31N3O3S/c1-13(2)18(15(19)14(3)16-22(4,20)21)12-11-17-9-7-5-6-8-10-17/h13-14,16H,5-12H2,1-4H3
InChIKeyPWOUKFXCLPETSD-UHFFFAOYSA-N
XLogP1.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclohexyl(methylsulfonyl)amino]-N-ethylacetamide
CID 1815811
2-[cyclohexyl(methylsulfonyl)amino]-N-propylacetamide
CID 1815812
N-butyl-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 1815814
N-(5-amino-6-oxo-6-pyrrolidin-1-ylhexyl)methanesulfonamide
CID 70047808
N-(1-propanoylpiperidin-3-yl)methanesulfonamide
CID 47180684
N-(sec-butyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 2984150
2-[azepan-1-ylsulfonyl(ethyl)amino]-N-propan-2-ylacetamide
CID 16589538
N-[2-(1-azepanyl)-2-oxoethyl]-N-cyclohexylmethanesulfonamide
CID 954167
3-(Propan-2-ylsulfamoylamino)azepan-2-one
CID 75499175
N-[(3R)-1-propanoylpiperidin-3-yl]methanesulfonamide
CID 93806133
2-[cyclohexyl(methylsulfonyl)amino]-N-propan-2-ylacetamide
CID 1815813
N~1~-cycloheptyl-N~1~-methyl-N~3~-(methylsulfonyl)-beta-alaninamide
CID 47414178

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide (CID 50957823) is N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide is CC(NS(C)(=O)=O)C(=O)N(CCN1CCCCCC1)C(C)C.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
The InChIKey is PWOUKFXCLPETSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-13(2)18(15(19)14(3)16-22(4,20)21)12-11-17-9-7-5-6-8-10-17/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide?
N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide has a molecular weight of 333.50 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-(methanesulfonamido)-N-propan-2-ylpropanamide is sourced from PubChem (CID 50957823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).