(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide

C13H19NOS2 — CID 157035340

IUPAC(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C13H19NOS2/c1-13(2,3)17(15)14-11-8-9-16-12-7-5-4-6-10(11)12/h4-7,11,14H,8-9H2,1-3H3/t11-,17+/m0/s1
InChIKeyVGFJIMQIFRRLHY-APPDUMDISA-N
MW269.43 g/mol
LogP3.28
Rot. Bonds2

About (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 157035340) has the molecular formula C13H19NOS2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID157035340
Molecular FormulaC13H19NOS2
Molecular Weight269.43 g/mol
Exact Mass269.09
IUPAC Name(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@@](=O)N[C@H]1CCSc2ccccc21
InChIInChI=1S/C13H19NOS2/c1-13(2,3)17(15)14-11-8-9-16-12-7-5-4-6-10(11)12/h4-7,11,14H,8-9H2,1-3H3/t11-,17+/m0/s1
InChIKeyVGFJIMQIFRRLHY-APPDUMDISA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-phenylpropanamide
CID 120587017
N-(1-ethylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115889817
(2S)-2-(3,4-dihydro-2H-thiochromen-4-ylamino)propan-1-ol
CID 103788965
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
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N-(3,4-dihydro-2H-thiochromen-4-yl)-2,6-dimethylpiperidin-1-amine
CID 83006635
2-bromo-N-(3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 107903329
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylsulfonylbenzamide
CID 8894216
2,2-dimethyl-3-[[(5R)-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propanamide
CID 99853780
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
1-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
CID 43697767
N-(3,4-dihydro-2H-thiochromen-4-yl)-1-methylpyrazol-4-amine
CID 43534907

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide (CID 157035340) is (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@@](=O)N[C@H]1CCSc2ccccc21.
What is the InChIKey of (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is VGFJIMQIFRRLHY-APPDUMDISA-N. The full InChI is InChI=1S/C13H19NOS2/c1-13(2,3)17(15)14-11-8-9-16-12-7-5-4-6-10(11)12/h4-7,11,14H,8-9H2,1-3H3/t11-,17+/m0/s1.
What are the key properties of (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 269.43 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 157035340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).