(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol

C12H17NOS — CID 103788965

IUPAC(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
SMILESC[C@@H](CO)NC1CCSc2ccccc21
InChIInChI=1S/C12H17NOS/c1-9(8-14)13-11-6-7-15-12-5-3-2-4-10(11)12/h2-5,9,11,13-14H,6-8H2,1H3/t9-,11?/m0/s1
InChIKeyZGKUJIUUSZYKLT-FTNKSUMCSA-N
MW223.34 g/mol
LogP2.19
Rot. Bonds3

About (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol

(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol (PubChem CID 103788965) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
PubChem CID103788965
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
SMILESC[C@@H](CO)NC1CCSc2ccccc21
InChIInChI=1S/C12H17NOS/c1-9(8-14)13-11-6-7-15-12-5-3-2-4-10(11)12/h2-5,9,11,13-14H,6-8H2,1H3/t9-,11?/m0/s1
InChIKeyZGKUJIUUSZYKLT-FTNKSUMCSA-N
XLogP2.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115889817
(3S)-3-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]butanamide
CID 40953266
(2R)-2-(2,3-dihydro-1H-inden-1-ylamino)propan-1-ol
CID 114986954
N-(1-morpholin-4-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43675785
3-(3,4-dihydro-2H-thiochromen-4-ylamino)propane-1,2-diol
CID 60658466
2-N-(3,4-dihydro-2H-thiochromen-4-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61476759
N-(5-methylheptan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740223
(2S)-2-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 103789078
N-(1-cyclohexylpropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 63476797
N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777436
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740209
(2R)-2-(2,3,4,5-tetrahydro-1-benzoxepin-5-ylamino)propan-1-ol
CID 103778563

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol?
The IUPAC name of (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol (CID 103788965) is (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol?
The canonical SMILES for (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol is C[C@@H](CO)NC1CCSc2ccccc21.
What is the InChIKey of (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol?
The InChIKey is ZGKUJIUUSZYKLT-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9(8-14)13-11-6-7-15-12-5-3-2-4-10(11)12/h2-5,9,11,13-14H,6-8H2,1H3/t9-,11?/m0/s1.
What are the key properties of (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol?
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol has a molecular weight of 223.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol is sourced from PubChem (CID 103788965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).