N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide

C9H16N4O3S — CID 63858497

IUPACN-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide
SMILESCC(C)(CNC(=O)n1ccnc1)NS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-9(2,12-17(3,15)16)6-11-8(14)13-5-4-10-7-13/h4-5,7,12H,6H2,1-3H3,(H,11,14)
InChIKeyJSCMMRSQEQXKBG-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.23
Rot. Bonds4

About N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide

N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide (PubChem CID 63858497) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide
PubChem CID63858497
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC NameN-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide
SMILESCC(C)(CNC(=O)n1ccnc1)NS(C)(=O)=O
InChIInChI=1S/C9H16N4O3S/c1-9(2,12-17(3,15)16)6-11-8(14)13-5-4-10-7-13/h4-5,7,12H,6H2,1-3H3,(H,11,14)
InChIKeyJSCMMRSQEQXKBG-UHFFFAOYSA-N
XLogP-0.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-imidazol-1-ylpropyl)-2-methyl-4-methylsulfonyl-6-oxo-N-propan-2-ylpiperazine-2-carboxamide
CID 53383316
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CID 71785467
N-(2-(2-cyclopropyl-1H-imidazol-1-yl)ethyl)-3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamide
CID 91629000
1-(1,1-Dioxothiolan-3-yl)-3-(2-imidazol-1-ylethyl)urea
CID 71894170
N~1~-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-N~2~-(methylsulfonyl)alaninamide
CID 91774565
N~3~-(methylsulfonyl)-N~1~-[(1-propyl-1H-imidazol-2-yl)methyl]-beta-alaninamide
CID 91835434
3-Tert-butyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 97206707
2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125444414
N-[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 55256187
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-[3-[ethylsulfonyl(methyl)amino]propyl]-1-methylurea
CID 87007583
(3-Imidazolylpropyl)(methylsulfonyl)amine
CID 3587152
3-(1-Imidazol-1-yl-2-methylpropan-2-yl)-1-methyl-1-(3-methylbutyl)urea
CID 20673455

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide (CID 63858497) is N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide is CC(C)(CNC(=O)n1ccnc1)NS(C)(=O)=O.
What is the InChIKey of N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide?
The InChIKey is JSCMMRSQEQXKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-9(2,12-17(3,15)16)6-11-8(14)13-5-4-10-7-13/h4-5,7,12H,6H2,1-3H3,(H,11,14).
What are the key properties of N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide?
N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide has a molecular weight of 260.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)-2-methylpropyl]imidazole-1-carboxamide is sourced from PubChem (CID 63858497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).