N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine

C8H10ClNS — CID 80645158

IUPACN-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
SMILESClc1ccsc1CNC1CC1
InChIInChI=1S/C8H10ClNS/c9-7-3-4-11-8(7)5-10-6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyCPZWLGRSHZBUFI-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.65
Rot. Bonds3

About N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine

N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine (PubChem CID 80645158) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
PubChem CID80645158
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC NameN-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine
SMILESClc1ccsc1CNC1CC1
InChIInChI=1S/C8H10ClNS/c9-7-3-4-11-8(7)5-10-6-1-2-6/h3-4,6,10H,1-2,5H2
InChIKeyCPZWLGRSHZBUFI-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6S)-N-[(3-chlorothiophen-2-yl)methyl]-2,6-dimethyloxan-4-amine
CID 124732360
N-[(3-bromothiophen-2-yl)methyl]cyclooctanamine
CID 63488961
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
N-[[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 80641417
(3-chlorothiophen-2-yl)methylcarbamic acid
CID 130345010
2-(3-chlorothiophen-2-yl)-1-(cyclopropylamino)propan-2-ol
CID 107361168
N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
CID 107361238
N-[2-[[(4-aminocyclohexyl)amino]methyl]thiophen-3-yl]acetamide
CID 66386996
2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]thiophen-3-amine
CID 66386729
N-[2-[(cyclobutylamino)methyl]thiophen-3-yl]acetamide
CID 66387598
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004
N-[(3-methylthiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696483

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine (CID 80645158) is N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine is Clc1ccsc1CNC1CC1.
What is the InChIKey of N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is CPZWLGRSHZBUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c9-7-3-4-11-8(7)5-10-6-1-2-6/h3-4,6,10H,1-2,5H2.
What are the key properties of N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine?
N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 187.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorothiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 80645158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).