N-propan-2-yl-3-(sulfamoylamino)propanamide

C6H15N3O3S — CID 115609040

IUPACN-propan-2-yl-3-(sulfamoylamino)propanamide
SMILESCC(C)NC(=O)CCNS(N)(=O)=O
InChIInChI=1S/C6H15N3O3S/c1-5(2)9-6(10)3-4-8-13(7,11)12/h5,8H,3-4H2,1-2H3,(H,9,10)(H2,7,11,12)
InChIKeyXPCCVDAWISVPGW-UHFFFAOYSA-N
MW209.27 g/mol
LogP-1.31
Rot. Bonds5

About N-propan-2-yl-3-(sulfamoylamino)propanamide

N-propan-2-yl-3-(sulfamoylamino)propanamide (PubChem CID 115609040) has the molecular formula C6H15N3O3S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-propan-2-yl-3-(sulfamoylamino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(sulfamoylamino)propanamide
PubChem CID115609040
Molecular FormulaC6H15N3O3S
Molecular Weight209.27 g/mol
Exact Mass209.08
IUPAC NameN-propan-2-yl-3-(sulfamoylamino)propanamide
SMILESCC(C)NC(=O)CCNS(N)(=O)=O
InChIInChI=1S/C6H15N3O3S/c1-5(2)9-6(10)3-4-8-13(7,11)12/h5,8H,3-4H2,1-2H3,(H,9,10)(H2,7,11,12)
InChIKeyXPCCVDAWISVPGW-UHFFFAOYSA-N
XLogP-1.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-(sulfamoylamino)acetamide
CID 112684221
3-[(N'-methylcarbamimidoyl)amino]-N-propan-2-ylpropanamide
CID 115600936
3-(methoxyamino)-N-propan-2-ylpropanamide
CID 60970227
(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 103794522
2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 115733718
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 107327415
N,N'-di(propan-2-yl)decanediamide
CID 58997511
4-oxo-N-propan-2-ylbutanamide
CID 87543114
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 103052009
3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 114614674

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(sulfamoylamino)propanamide?
The IUPAC name of N-propan-2-yl-3-(sulfamoylamino)propanamide (CID 115609040) is N-propan-2-yl-3-(sulfamoylamino)propanamide.
What is the SMILES notation for N-propan-2-yl-3-(sulfamoylamino)propanamide?
The canonical SMILES for N-propan-2-yl-3-(sulfamoylamino)propanamide is CC(C)NC(=O)CCNS(N)(=O)=O.
What is the InChIKey of N-propan-2-yl-3-(sulfamoylamino)propanamide?
The InChIKey is XPCCVDAWISVPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O3S/c1-5(2)9-6(10)3-4-8-13(7,11)12/h5,8H,3-4H2,1-2H3,(H,9,10)(H2,7,11,12).
What are the key properties of N-propan-2-yl-3-(sulfamoylamino)propanamide?
N-propan-2-yl-3-(sulfamoylamino)propanamide has a molecular weight of 209.27 g/mol, XLogP of -1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(sulfamoylamino)propanamide is sourced from PubChem (CID 115609040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).