N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine

C14H27NS — CID 114544200

IUPACN-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
SMILESCC1(C)CCC(NC2CSCCC2(C)C)C1
InChIInChI=1S/C14H27NS/c1-13(2)6-5-11(9-13)15-12-10-16-8-7-14(12,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyQFEMXICRSXITDL-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.69
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine

N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine (PubChem CID 114544200) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
PubChem CID114544200
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC NameN-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
SMILESCC1(C)CCC(NC2CSCCC2(C)C)C1
InChIInChI=1S/C14H27NS/c1-13(2)6-5-11(9-13)15-12-10-16-8-7-14(12,3)4/h11-12,15H,5-10H2,1-4H3
InChIKeyQFEMXICRSXITDL-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 104531021
N-ethyl-3-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627274
3-methyl-N-propyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627275
N-[(1-fluorocyclopentyl)methyl]thian-3-amine
CID 130637851
N-[(1-fluorocyclopentyl)methyl]thian-4-amine
CID 131159823
3-(2,2-Dimethylpropyl)thiomorpholine
CID 58530439
3-(2-Methylbutyl)thiomorpholine
CID 123288407
N-(3-methylhexan-3-yl)thian-4-amine
CID 139319987
3-(2-Methylpentan-2-yl)thiomorpholine
CID 139332273
3,9,9-Trimethyl-6-thia-2-azaspiro[4.5]decane
CID 142990552
ethane;N,5,5-trimethylthian-3-amine
CID 143246348
1-Thia-8-azaspiro[4.5]decan-4-amine
CID 151386409

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine (CID 114544200) is N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine is CC1(C)CCC(NC2CSCCC2(C)C)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine?
The InChIKey is QFEMXICRSXITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-13(2)6-5-11(9-13)15-12-10-16-8-7-14(12,3)4/h11-12,15H,5-10H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine?
N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine has a molecular weight of 241.44 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine is sourced from PubChem (CID 114544200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).