2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride

C16H25ClN2O3S — CID 119956625

IUPAC2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)NCC1CCCc2ccccc21.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22(20,21)10-9-15(17)16(19)18-11-13-7-4-6-12-5-2-3-8-14(12)13;/h2-3,5,8,13,15H,4,6-7,9-11,17H2,1H3,(H,18,19);1H
InChIKeyJTTSQIOLDCRWAL-UHFFFAOYSA-N
MW360.91 g/mol
LogP1.41
Rot. Bonds6

About 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride

2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride (PubChem CID 119956625) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
PubChem CID119956625
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
SMILESCS(=O)(=O)CCC(N)C(=O)NCC1CCCc2ccccc21.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22(20,21)10-9-15(17)16(19)18-11-13-7-4-6-12-5-2-3-8-14(12)13;/h2-3,5,8,13,15H,4,6-7,9-11,17H2,1H3,(H,18,19);1H
InChIKeyJTTSQIOLDCRWAL-UHFFFAOYSA-N
XLogP1.41
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanamide
CID 79024332
2-amino-N-(2,3-dihydro-1H-inden-1-ylmethyl)-2-phenylacetamide;hydrochloride
CID 119323377
4-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride
CID 119291488
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578
4-(butan-2-ylsulfamoyl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46420133
3-(2,3-dihydro-1H-inden-1-ylmethylamino)-2-methyl-3-oxopropanoic acid
CID 122065562
3-(methanesulfonamido)-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 134044129
N-propan-2-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)acetamide
CID 63773485
1-(3,3-dimethylbutyl)-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)urea
CID 166180262

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride (CID 119956625) is 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride is CS(=O)(=O)CCC(N)C(=O)NCC1CCCc2ccccc21.Cl.
What is the InChIKey of 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride?
The InChIKey is JTTSQIOLDCRWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-22(20,21)10-9-15(17)16(19)18-11-13-7-4-6-12-5-2-3-8-14(12)13;/h2-3,5,8,13,15H,4,6-7,9-11,17H2,1H3,(H,18,19);1H.
What are the key properties of 2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride?
2-amino-4-methylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 1.41, 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-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide;hydrochloride is sourced from PubChem (CID 119956625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).