N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine

C13H27NO2S — CID 59677645

IUPACN-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine
SMILESCC(C)NC1(CS(=O)(=O)C(C)C)CCCCC1
InChIInChI=1S/C13H27NO2S/c1-11(2)14-13(8-6-5-7-9-13)10-17(15,16)12(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyZNQDATIPLRSPMO-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.51
Rot. Bonds5

About N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine

N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine (PubChem CID 59677645) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine
PubChem CID59677645
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC NameN-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine
SMILESCC(C)NC1(CS(=O)(=O)C(C)C)CCCCC1
InChIInChI=1S/C13H27NO2S/c1-11(2)14-13(8-6-5-7-9-13)10-17(15,16)12(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyZNQDATIPLRSPMO-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine?
The IUPAC name of N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine (CID 59677645) is N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine is CC(C)NC1(CS(=O)(=O)C(C)C)CCCCC1.
What is the InChIKey of N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine?
The InChIKey is ZNQDATIPLRSPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-11(2)14-13(8-6-5-7-9-13)10-17(15,16)12(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine?
N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-(propan-2-ylsulfonylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 59677645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).