N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine

C12H18ClNS — CID 80706144

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H18ClNS/c1-12(2)6-5-9(7-12)14-8-10-3-4-11(13)15-10/h3-4,9,14H,5-8H2,1-2H3
InChIKeyCQCCIPFQTKWHLW-UHFFFAOYSA-N
MW243.80 g/mol
LogP4.07
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80706144) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80706144
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCc2ccc(Cl)s2)C1
InChIInChI=1S/C12H18ClNS/c1-12(2)6-5-9(7-12)14-8-10-3-4-11(13)15-10/h3-4,9,14H,5-8H2,1-2H3
InChIKeyCQCCIPFQTKWHLW-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28675211
N-[(5-ethylfuran-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 115881484
N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614830
N-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083500
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212
3-(5-chlorothiophen-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 116539484
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
N-[(5-chlorothiophen-2-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765786
1-(5-chlorothiophen-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724290

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine (CID 80706144) is N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCc2ccc(Cl)s2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is CQCCIPFQTKWHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-12(2)6-5-9(7-12)14-8-10-3-4-11(13)15-10/h3-4,9,14H,5-8H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80706144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).