N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine

C16H33NO2S — CID 106735505

IUPACN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H33NO2S/c1-13(2)11-17-12-15-8-6-7-14(15)9-10-20(18,19)16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyQBXOBKKGFIHSEF-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.25
Rot. Bonds7

About N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine

N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (PubChem CID 106735505) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
PubChem CID106735505
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC NameN-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCC1CCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H33NO2S/c1-13(2)11-17-12-15-8-6-7-14(15)9-10-20(18,19)16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyQBXOBKKGFIHSEF-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(3-methylsulfonylpropyl)hexan-1-amine
CID 60069675
3-(2,2-Dimethylbutyl)-4-(2-methylbutan-2-ylsulfonylmethyl)pyrrolidine
CID 71289870
7-methyl-N-(3-methylsulfonylpropyl)tridecan-7-amine
CID 130426555
5-methyl-N-(3-methylsulfonylpropyl)dodecan-5-amine
CID 146436517
4-methyl-N-(2-methylsulfonylethyl)octan-1-amine
CID 163984989
2-Cyclopentyl-1,4-thiazinane 1,1-dioxide
CID 173061390
9-(2-butyloctylsulfonyl)-N-[9-(2-butyloctylsulfonyl)nonyl]nonan-1-amine
CID 176689547
N-(5-methylheptan-3-yl)-1,1-dioxothiolan-3-amine
CID 43191011
N-(cyclopentylmethyl)-2-ethylsulfonylethanamine
CID 43807728
N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylheptan-3-amine
CID 54915366
3-cyclohexyl-2-(1,1-dioxothiolan-3-yl)-N-methylpropan-1-amine
CID 55083661
2-(1,1-dioxothiolan-3-yl)-4-ethyl-N-methyloctan-1-amine
CID 55083709

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine (CID 106735505) is N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCC1CCS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QBXOBKKGFIHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-13(2)11-17-12-15-8-6-7-14(15)9-10-20(18,19)16(3,4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine?
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 106735505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).