N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine

C12H23NS — CID 102672503

IUPACN-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine
SMILESCC1SCCC1NC1CCCC1(C)C
InChIInChI=1S/C12H23NS/c1-9-10(6-8-14-9)13-11-5-4-7-12(11,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyWEYMPYGAHBQLNJ-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine

N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine (PubChem CID 102672503) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine
PubChem CID102672503
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine
SMILESCC1SCCC1NC1CCCC1(C)C
InChIInChI=1S/C12H23NS/c1-9-10(6-8-14-9)13-11-5-4-7-12(11,2)3/h9-11,13H,4-8H2,1-3H3
InChIKeyWEYMPYGAHBQLNJ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]cycloheptan-1-ol
CID 79861277
N-(2,2-dimethylcyclopentyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81320577
trans-(1R,2R)-2-[(2,2-dimethylcyclohexyl)amino]cyclohexan-1-ol
CID 102731420
N-(2,2-dimethylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 79856410
4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
CID 79948975
3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
N-(2,2-dimethylcyclopentyl)-2-methoxycyclohexan-1-amine
CID 79860878
2-[(2,2-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103256629
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
CID 102671503
trans-(1R,2R)-2-[(2,2-dimethylcyclobutyl)amino]cyclopentan-1-ol
CID 122235783
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine (CID 102672503) is N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine is CC1SCCC1NC1CCCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine?
The InChIKey is WEYMPYGAHBQLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-9-10(6-8-14-9)13-11-5-4-7-12(11,2)3/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine?
N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-methylthiolan-3-amine is sourced from PubChem (CID 102672503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).