trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine

C9H12ClNS — CID 94428351

IUPACtrans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNS/c1-6-4-8(6)11-5-7-2-3-9(10)12-7/h2-3,6,8,11H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyOQRFZOXYVMWQRH-HTRCEHHLSA-N
MW201.72 g/mol
LogP2.90
Rot. Bonds3

About trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine

trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 94428351) has the molecular formula C9H12ClNS and a molecular weight of 201.72 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
PubChem CID94428351
Molecular FormulaC9H12ClNS
Molecular Weight201.72 g/mol
Exact Mass201.04
IUPAC Nametrans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
SMILESC[C@@H]1C[C@H]1NCc1ccc(Cl)s1
InChIInChI=1S/C9H12ClNS/c1-6-4-8(6)11-5-7-2-3-9(10)12-7/h2-3,6,8,11H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyOQRFZOXYVMWQRH-HTRCEHHLSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
CID 81332614
N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28675211
N-[(5-ethylthiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 114136811
2-[(5-chlorothiophen-2-yl)methylamino]cyclopentane-1-carboxamide
CID 115977123
N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80706144
tert-butyl 3-[(5-chlorothiophen-2-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107256677
N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614830
N-[(5-chlorothiophen-2-yl)methyl]-2-(3,4-dimethylcyclohexyl)oxyethanamine
CID 64739740
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515
N-[(5-ethylthiophen-2-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63996436
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine (CID 94428351) is trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine is C[C@@H]1C[C@H]1NCc1ccc(Cl)s1.
What is the InChIKey of trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is OQRFZOXYVMWQRH-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H12ClNS/c1-6-4-8(6)11-5-7-2-3-9(10)12-7/h2-3,6,8,11H,4-5H2,1H3/t6-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine?
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 201.72 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 94428351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).