N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine

C15H31NO2S — CID 121538265

IUPACN-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
SMILESCC(C)C(CNC1CCC(CC1)S(=O)(=O)C)C(C)C
InChIInChI=1S/C15H31NO2S/c1-11(2)15(12(3)4)10-16-13-6-8-14(9-7-13)19(5,17)18/h11-16H,6-10H2,1-5H3
InChIKeyDQQQBSYBBYJMKR-UHFFFAOYSA-N
MW289.50 g/mol
LogP3.40
Rot. Bonds6

About N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine

N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine (PubChem CID 121538265) has the molecular formula C15H31NO2S and a molecular weight of 289.50 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
PubChem CID121538265
Molecular FormulaC15H31NO2S
Molecular Weight289.50 g/mol
Exact Mass289.21
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine
SMILESCC(C)C(CNC1CCC(CC1)S(=O)(=O)C)C(C)C
InChIInChI=1S/C15H31NO2S/c1-11(2)15(12(3)4)10-16-13-6-8-14(9-7-13)19(5,17)18/h11-16H,6-10H2,1-5H3
InChIKeyDQQQBSYBBYJMKR-UHFFFAOYSA-N
XLogP3.40
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-N-[(2R)-4-methylsulfonylbutan-2-yl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129429831
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64629735
N-(1-methylsulfonylpropan-2-yl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64629737
N-(1-methylsulfonylpropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64630557
N-(2-methylsulfonylethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754265
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754878
N-(3-methylsulfonylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757996
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758402
N-(3-methylsulfonylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64759309

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine (CID 121538265) is N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine is CC(C)C(CNC1CCC(CC1)S(=O)(=O)C)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine?
The InChIKey is DQQQBSYBBYJMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2S/c1-11(2)15(12(3)4)10-16-13-6-8-14(9-7-13)19(5,17)18/h11-16H,6-10H2,1-5H3.
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine?
N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine has a molecular weight of 289.50 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)-4-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 121538265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).