N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine

C16H33NO2S — CID 106730376

IUPACN-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCC(C)S(=O)(=O)CCC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C16H33NO2S/c1-13(2)20(18,19)11-10-15(12-17-16(3,4)5)14-8-6-7-9-14/h13-15,17H,6-12H2,1-5H3
InChIKeyADBCZGHEYXYASN-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.39
Rot. Bonds7

About N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine

N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine (PubChem CID 106730376) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
PubChem CID106730376
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC NameN-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine
SMILESCC(C)S(=O)(=O)CCC(CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C16H33NO2S/c1-13(2)20(18,19)11-10-15(12-17-16(3,4)5)14-8-6-7-9-14/h13-15,17H,6-12H2,1-5H3
InChIKeyADBCZGHEYXYASN-UHFFFAOYSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-cyclopentyl-5-methylsulfonylpentan-1-amine
CID 112570097
2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-ol
CID 106734435
N-tert-butyl-2-cyclopentyl-5,5-dimethylhexan-1-amine
CID 112570105
1-cyclopentyl-N-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106727336
2-methyl-N-[[2-(2-propan-2-ylsulfonylethyl)cyclopentyl]methyl]propan-2-amine
CID 106735498
2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729604
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)piperidin-3-yl]methyl]propan-2-amine
CID 106725815
1-(cyclopropylamino)-4-propan-2-ylsulfonylbutan-2-ol
CID 106734212
N-(2-cycloheptyl-2-fluoroethyl)-2-methylpropan-2-amine
CID 107446700
N-tert-butyl-2-cyclopentyloxy-3-methylbutan-1-amine
CID 62446329
4-tert-butylsulfonyl-2-cyclopentyl-N-(2-methoxyethyl)butan-1-amine
CID 106730380
2-methyl-N-[[1-(2-propan-2-ylsulfonylethyl)cyclobutyl]methyl]propan-2-amine
CID 106730047

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine (CID 106730376) is N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine is CC(C)S(=O)(=O)CCC(CNC(C)(C)C)C1CCCC1.
What is the InChIKey of N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine?
The InChIKey is ADBCZGHEYXYASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-13(2)20(18,19)11-10-15(12-17-16(3,4)5)14-8-6-7-9-14/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine?
N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclopentyl-4-propan-2-ylsulfonylbutan-1-amine is sourced from PubChem (CID 106730376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).