1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol

C15H20ClNOS — CID 65105744

IUPAC1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCSc3ccc(Cl)cc32)CCCC1
InChIInChI=1S/C15H20ClNOS/c16-11-3-4-14-12(9-11)13(5-8-19-14)17-10-15(18)6-1-2-7-15/h3-4,9,13,17-18H,1-2,5-8,10H2
InChIKeyZHLFBRCNXWMIOS-UHFFFAOYSA-N
MW297.85 g/mol
LogP3.77
Rot. Bonds3

About 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol

1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65105744) has the molecular formula C15H20ClNOS and a molecular weight of 297.85 g/mol. Its IUPAC name is 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65105744
Molecular FormulaC15H20ClNOS
Molecular Weight297.85 g/mol
Exact Mass297.10
IUPAC Name1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol
SMILESOC1(CNC2CCSc3ccc(Cl)cc32)CCCC1
InChIInChI=1S/C15H20ClNOS/c16-11-3-4-14-12(9-11)13(5-8-19-14)17-10-15(18)6-1-2-7-15/h3-4,9,13,17-18H,1-2,5-8,10H2
InChIKeyZHLFBRCNXWMIOS-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

1-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103958
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 83108033
6-chloro-N-[(1-ethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114099597
6-chloro-N-ethyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538840
6-chloro-N-propyl-3,4-dihydro-2H-thiochromen-4-amine
CID 43538839
4-chloro-2-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]phenol
CID 43723360
6-chloro-N-[(2,2-dimethylcyclopropyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 114107670
3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
CID 43232911
1-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-ethylpentan-2-ol
CID 103783037
6-chloro-N-(thian-4-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115719910
6-chloro-N-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43232488
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]ethylurea
CID 83111726

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol (CID 65105744) is 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol is OC1(CNC2CCSc3ccc(Cl)cc32)CCCC1.
What is the InChIKey of 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZHLFBRCNXWMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNOS/c16-11-3-4-14-12(9-11)13(5-8-19-14)17-10-15(18)6-1-2-7-15/h3-4,9,13,17-18H,1-2,5-8,10H2.
What are the key properties of 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol?
1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 297.85 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65105744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).