[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol

C15H21NOS — CID 113262116

IUPAC[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NC1CCSc2ccccc21
InChIInChI=1S/C15H21NOS/c17-10-11-4-3-6-13(11)16-14-8-9-18-15-7-2-1-5-12(14)15/h1-2,5,7,11,13-14,16-17H,3-4,6,8-10H2
InChIKeyKPQVKDYAVRSKFE-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.97
Rot. Bonds3

About [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol

[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol (PubChem CID 113262116) has the molecular formula C15H21NOS and a molecular weight of 263.41 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
PubChem CID113262116
Molecular FormulaC15H21NOS
Molecular Weight263.41 g/mol
Exact Mass263.13
IUPAC Name[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol
SMILESOCC1CCCC1NC1CCSc2ccccc21
InChIInChI=1S/C15H21NOS/c17-10-11-4-3-6-13(11)16-14-8-9-18-15-7-2-1-5-12(14)15/h1-2,5,7,11,13-14,16-17H,3-4,6,8-10H2
InChIKeyKPQVKDYAVRSKFE-UHFFFAOYSA-N
XLogP2.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]cyclopentyl]methanol
CID 103786082
N-(2-methylsulfanylcyclopentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103786604
[(1R,2S)-2-[[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]methanol
CID 98875815
N-(2-methylsulfanylcyclohexyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 103777434
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
N-(thian-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62872168
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
3-(3,4-dihydro-2H-thiochromen-4-ylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 65069744
[(1R,4S)-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)cyclopent-2-en-1-yl]methanol
CID 91660355
3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2,2-difluoropropan-1-ol
CID 113463339
N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63453791

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol?
The IUPAC name of [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol (CID 113262116) is [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol is OCC1CCCC1NC1CCSc2ccccc21.
What is the InChIKey of [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol?
The InChIKey is KPQVKDYAVRSKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NOS/c17-10-11-4-3-6-13(11)16-14-8-9-18-15-7-2-1-5-12(14)15/h1-2,5,7,11,13-14,16-17H,3-4,6,8-10H2.
What are the key properties of [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol?
[2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol has a molecular weight of 263.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-thiochromen-4-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 113262116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).