2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

C14H29ClN2O3S — CID 119957269

IUPAC2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)C(N)CCS(C)(=O)=O)C1.Cl
InChIInChI=1S/C14H28N2O3S.ClH/c1-10(2)11-5-4-6-12(9-11)16-14(17)13(15)7-8-20(3,18)19;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyHMGVNFBBHBGWLU-UHFFFAOYSA-N
MW340.92 g/mol
LogP1.50
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride

2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (PubChem CID 119957269) has the molecular formula C14H29ClN2O3S and a molecular weight of 340.92 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
PubChem CID119957269
Molecular FormulaC14H29ClN2O3S
Molecular Weight340.92 g/mol
Exact Mass340.16
IUPAC Name2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC(C)C1CCCC(NC(=O)C(N)CCS(C)(=O)=O)C1.Cl
InChIInChI=1S/C14H28N2O3S.ClH/c1-10(2)11-5-4-6-12(9-11)16-14(17)13(15)7-8-20(3,18)19;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyHMGVNFBBHBGWLU-UHFFFAOYSA-N
XLogP1.50
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-cyclohexylethylsulfonylamino)-N-ethylpropanamide
CID 164634357
N-[(1S)-1-cyclohexyl-2-methylsulfonylethyl]acetamide
CID 134950008
2-amino-4-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 43711814
2-amino-4-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 43712684
2-amino-4-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 43712740
3-cyclohexyl-N~1~-{2-[(dimethylamino)sulfonyl]ethyl}-L-alaninamide hydrochloride
CID 56739318
2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 14208589
(2R)-2-amino-N-(3-cyclohexylpropyl)-4-methylsulfanylbutanamide
CID 14208590
(2S)-2-amino-N-(3-methyl-3-propan-2-ylcyclohexyl)-4-methylsulfanylbutanamide
CID 18655778
(2S)-2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide
CID 18655787
(2S)-2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-[(R)-methylsulfinyl]butanamide
CID 57109863
2-amino-N-[(1S)-3-methyl-3-propan-2-ylcyclohexyl]-4-methylsulfinylbutanamide
CID 57141560

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride (CID 119957269) is 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is CC(C)C1CCCC(NC(=O)C(N)CCS(C)(=O)=O)C1.Cl.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The InChIKey is HMGVNFBBHBGWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S.ClH/c1-10(2)11-5-4-6-12(9-11)16-14(17)13(15)7-8-20(3,18)19;/h10-13H,4-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride?
2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride has a molecular weight of 340.92 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfonyl-N-(3-propan-2-ylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119957269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).