2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide

C13H25N3O3S — CID 62520222

IUPAC2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H25N3O3S/c1-20-8-5-10(15-12(14)19)11(18)16-13(9-17)6-3-2-4-7-13/h10,17H,2-9H2,1H3,(H,16,18)(H3,14,15,19)
InChIKeyUBLDSERUTZHJKI-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.59
Rot. Bonds7

About 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide

2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide (PubChem CID 62520222) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide
PubChem CID62520222
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC Name2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide
SMILESCSCCC(NC(N)=O)C(=O)NC1(CO)CCCCC1
InChIInChI=1S/C13H25N3O3S/c1-20-8-5-10(15-12(14)19)11(18)16-13(9-17)6-3-2-4-7-13/h10,17H,2-9H2,1H3,(H,16,18)(H3,14,15,19)
InChIKeyUBLDSERUTZHJKI-UHFFFAOYSA-N
XLogP0.59
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide with MolForge

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Related Compounds

1-[[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432877
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 62520054
1-[[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445072
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119565556
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 61151608
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107822215
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 62520053
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-methylpentanoic acid
CID 104682784
2-[1-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]cyclopentyl]acetic acid
CID 64702104
(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)urea
CID 60634739

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide?
The IUPAC name of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide (CID 62520222) is 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide is CSCCC(NC(N)=O)C(=O)NC1(CO)CCCCC1.
What is the InChIKey of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide?
The InChIKey is UBLDSERUTZHJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-20-8-5-10(15-12(14)19)11(18)16-13(9-17)6-3-2-4-7-13/h10,17H,2-9H2,1H3,(H,16,18)(H3,14,15,19).
What are the key properties of 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide?
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide has a molecular weight of 303.43 g/mol, XLogP of 0.59, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 62520222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).