3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine

C11H16ClNO2S — CID 81202387

IUPAC3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-9(6-13)7-16(14,15)8-10-3-2-4-11(12)5-10/h2-5,9H,6-8,13H2,1H3
InChIKeyLQEOUYRNNOAEDN-UHFFFAOYSA-N
MW261.77 g/mol
LogP1.85
Rot. Bonds5

About 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine

3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine (PubChem CID 81202387) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
PubChem CID81202387
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H16ClNO2S/c1-9(6-13)7-16(14,15)8-10-3-2-4-11(12)5-10/h2-5,9H,6-8,13H2,1H3
InChIKeyLQEOUYRNNOAEDN-UHFFFAOYSA-N
XLogP1.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-2-methylpropyl)sulfonylmethyl]phenol
CID 81196409
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
CID 81202392
(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
2-[(3-chlorophenyl)methyl]-4-ethylsulfonylbutan-1-amine
CID 62531212
3-[(5-chlorothiophen-2-yl)methylsulfonyl]-2-methylpropan-1-amine
CID 81202609
2-[(3-chlorophenyl)methylsulfonyl]-N-methylacetamide
CID 47162178
2-[(3-chlorophenyl)methylsulfonyl]-N-phenyl-N-propan-2-ylacetamide
CID 55703716
N-chloro-1-(3-chlorophenyl)methanesulfonamide
CID 133063629
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
CID 81075790
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride
CID 65130631
4-[(3-chlorophenyl)methylsulfonylmethyl]benzonitrile
CID 47162176

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine (CID 81202387) is 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
The InChIKey is LQEOUYRNNOAEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-9(6-13)7-16(14,15)8-10-3-2-4-11(12)5-10/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine?
3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine has a molecular weight of 261.77 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfonyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81202387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).