2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine

C16H25NOS — CID 64657965

IUPAC2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)Cc1ccccc1
InChIInChI=1S/C16H25NOS/c1-16(2)10-9-14(17-3)15(11-16)19(18)12-13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeyDNYHCQYUQPKQOT-UHFFFAOYSA-N
MW279.45 g/mol
LogP3.10
Rot. Bonds4

About 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine

2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine (PubChem CID 64657965) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
PubChem CID64657965
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
SMILESCNC1CCC(C)(C)CC1S(=O)Cc1ccccc1
InChIInChI=1S/C16H25NOS/c1-16(2)10-9-14(17-3)15(11-16)19(18)12-13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3
InChIKeyDNYHCQYUQPKQOT-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzylsulfinyl-N-methylcyclopentan-1-amine
CID 64658738
2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
2-butylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64655762
N,4,4-trimethyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496366
2-(3,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658495
2-(2,4-dimethylphenyl)sulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64658120
2-[(4-chlorophenyl)methylsulfinyl]-N-methylcyclopentan-1-amine
CID 114792156
2-benzylsulfinylcyclohexan-1-amine
CID 64660290
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
4-benzyl-N,2,2-trimethylcyclopentan-1-amine
CID 174528060
3-benzyl-N,3-dimethylcyclopentan-1-amine
CID 116538980
N-(2-benzyl-5,5-dimethylcyclohexyl)formamide;formylazanide;titanium(3+);dichloride
CID 23292719

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine (CID 64657965) is 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine is CNC1CCC(C)(C)CC1S(=O)Cc1ccccc1.
What is the InChIKey of 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine?
The InChIKey is DNYHCQYUQPKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-16(2)10-9-14(17-3)15(11-16)19(18)12-13-7-5-4-6-8-13/h4-8,14-15,17H,9-12H2,1-3H3.
What are the key properties of 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine?
2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfinyl-N,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64657965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).