3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide

C10H20N2O3S — CID 113136242

IUPAC3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-10(13)6-7-12(9-4-5-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyDEDLESMWTBHICW-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.33
Rot. Bonds6

About 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide

3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide (PubChem CID 113136242) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
PubChem CID113136242
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)11-10(13)6-7-12(9-4-5-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13)
InChIKeyDEDLESMWTBHICW-UHFFFAOYSA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[methylsulfonyl(propan-2-yl)amino]propyl]cyclopropanecarboxamide
CID 71941517
N-(2,2-difluoroethyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 164995161
N-butyl-3-(methanesulfonamido)propanamide
CID 23563470
(2S)-2-(methanesulfonamido)-N-propan-2-ylpropanamide
CID 58709520
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]acetamide
CID 58837145
N-[3-methyl-4-[methyl(methylsulfonyl)amino]butan-2-yl]butanamide
CID 59131681
N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2-methylpropanamide
CID 59640671
N-[(2R)-4-(methanesulfonamido)butan-2-yl]-2,2-dimethylpropanamide
CID 59765154
3-[tert-butyl(methylsulfonyl)amino]-N-ethyl-3-methylbutanamide
CID 89118488
N-ethyl-3-(propan-2-ylsulfonylamino)propanamide
CID 104430101
N-propan-2-yl-3-(propan-2-ylsulfonylamino)propanamide
CID 104430105
3-(dimethylsulfamoyl)-N-propan-2-ylpropanamide
CID 110343259

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide (CID 113136242) is 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCN(C1CC1)S(C)(=O)=O.
What is the InChIKey of 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is DEDLESMWTBHICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)11-10(13)6-7-12(9-4-5-9)16(3,14)15/h8-9H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide?
3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 248.35 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methylsulfonyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113136242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).