N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine

C10H21NOS — CID 64656403

IUPACN-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)C(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)13(12)10-7-5-4-6-9(10)11-3/h8-11H,4-7H2,1-3H3
InChIKeyKVTSUPCYOFFMFZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.67
Rot. Bonds3

About N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine

N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine (PubChem CID 64656403) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine
PubChem CID64656403
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC NameN-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)C(C)C
InChIInChI=1S/C10H21NOS/c1-8(2)13(12)10-7-5-4-6-9(10)11-3/h8-11H,4-7H2,1-3H3
InChIKeyKVTSUPCYOFFMFZ-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine?
The IUPAC name of N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine (CID 64656403) is N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine.
What is the SMILES notation for N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine?
The canonical SMILES for N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine is CNC1CCCCC1S(=O)C(C)C.
What is the InChIKey of N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine?
The InChIKey is KVTSUPCYOFFMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)13(12)10-7-5-4-6-9(10)11-3/h8-11H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine?
N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64656403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).