N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide

C18H29ClN2OS — CID 141211703

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)CCC(CN)(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H29ClN2OS/c1-16(2,3)23(22)21-17(4)8-10-18(13-20,11-9-17)14-6-5-7-15(19)12-14/h5-7,12,21H,8-11,13,20H2,1-4H3
InChIKeyJNFORNJMTQFYJX-UHFFFAOYSA-N
MW356.96 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide

N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide (PubChem CID 141211703) has the molecular formula C18H29ClN2OS and a molecular weight of 356.96 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide
PubChem CID141211703
Molecular FormulaC18H29ClN2OS
Molecular Weight356.96 g/mol
Exact Mass356.17
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide
SMILESCC1(NS(=O)C(C)(C)C)CCC(CN)(c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H29ClN2OS/c1-16(2,3)23(22)21-17(4)8-10-18(13-20,11-9-17)14-6-5-7-15(19)12-14/h5-7,12,21H,8-11,13,20H2,1-4H3
InChIKeyJNFORNJMTQFYJX-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.96
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide (CID 141211703) is N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide is CC1(NS(=O)C(C)(C)C)CCC(CN)(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide?
The InChIKey is JNFORNJMTQFYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2OS/c1-16(2,3)23(22)21-17(4)8-10-18(13-20,11-9-17)14-6-5-7-15(19)12-14/h5-7,12,21H,8-11,13,20H2,1-4H3.
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide?
N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide has a molecular weight of 356.96 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)-1-methylcyclohexyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 141211703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).