2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide

C10H18N4O3S — CID 64519040

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-14(7-9-12-4-5-13-9)10(15)8(11)3-6-18(2,16)17/h4-5,8H,3,6-7,11H2,1-2H3,(H,12,13)
InChIKeyHCCGZXROIKFTBG-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.87
Rot. Bonds6

About 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide (PubChem CID 64519040) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
PubChem CID64519040
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H18N4O3S/c1-14(7-9-12-4-5-13-9)10(15)8(11)3-6-18(2,16)17/h4-5,8H,3,6-7,11H2,1-2H3,(H,12,13)
InChIKeyHCCGZXROIKFTBG-UHFFFAOYSA-N
XLogP-0.87
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1H-imidazol-2-yl)-1-piperidinyl]-4-oxo-1-butanesulfonamide
CID 70746595
N~2~-acetyl-N~1~-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-L-methioninamide
CID 90653187
2-(methanesulfonamido)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125444414
2,3-diacetamido-3-(1H-imidazol-2-yl)propane-1-sulfonic acid;trifluoromethanesulfonic acid
CID 175912581
(4aR*,7aS*)-1-(1H-imidazol-2-ylmethyl)-4-(4,4,4-trifluorobutanoyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70787879
1-[(4aR,7aS)-1-(1H-imidazol-2-ylmethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-4,4,4-trifluorobutan-1-one;hydrochloride
CID 154896036
4,4,4-trifluoro-N-[(3S,4S)-4-[2-(1H-imidazol-2-yl)imidazol-1-yl]-1,1-dioxothiolan-3-yl]butanamide
CID 155498465
[1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676702
1-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714948
1-(1H-imidazol-2-ylmethyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715105
2-(2-isopropyl-1H-imidazol-1-yl)-N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]propanamide
CID 50958461
(2S)-2,6-diamino-N-methyl-4-(1-methylimidazol-2-yl)sulfonylhexanamide
CID 20681216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide (CID 64519040) is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide is CN(Cc1ncc[nH]1)C(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is HCCGZXROIKFTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-14(7-9-12-4-5-13-9)10(15)8(11)3-6-18(2,16)17/h4-5,8H,3,6-7,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 274.35 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 64519040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).