[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol

C15H20ClNOS — CID 103786082

IUPAC[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
SMILESOCC1CCCC1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNOS/c16-11-4-5-15-12(8-11)14(6-7-19-15)17-13-3-1-2-10(13)9-18/h4-5,8,10,13-14,17-18H,1-3,6-7,9H2
InChIKeyNNDCLZWJIPWITC-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.63
Rot. Bonds3

About [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol

[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol (PubChem CID 103786082) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
PubChem CID103786082
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
SMILESOCC1CCCC1NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNOS/c16-11-4-5-15-12(8-11)14(6-7-19-15)17-13-3-1-2-10(13)9-18/h4-5,8,10,13-14,17-18H,1-3,6-7,9H2
InChIKeyNNDCLZWJIPWITC-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.85
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
CID 113262116
[(1R,4S)-4-[[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]amino]cyclopent-2-en-1-yl]methanol
CID 99821461
[2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]cyclohexyl]methanol
CID 103785054
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-(4-methylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43232535
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
6-chloro-N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64751758
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783441
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-trimethylpiperidin-4-amine
CID 43723369
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)pyrrolidin-3-amine
CID 79730659
6-chloro-N-(1,1-dioxothian-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723375

Frequently Asked Questions

What is the IUPAC name of [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol?
The IUPAC name of [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol (CID 103786082) is [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol.
What is the SMILES notation for [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol?
The canonical SMILES for [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol is OCC1CCCC1NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol?
The InChIKey is NNDCLZWJIPWITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-11-4-5-15-12(8-11)14(6-7-19-15)17-13-3-1-2-10(13)9-18/h4-5,8,10,13-14,17-18H,1-3,6-7,9H2.
What are the key properties of [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol?
[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol has a molecular weight of 297.85 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol is sourced from PubChem (CID 103786082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).