(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol

C10H17NOS — CID 106932207

IUPAC(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1cc(CNC[C@H](C)O)sc1C
InChIInChI=1S/C10H17NOS/c1-7-4-10(13-9(7)3)6-11-5-8(2)12/h4,8,11-12H,5-6H2,1-3H3/t8-/m0/s1
InChIKeyRSPWKXQWYKLROM-QMMMGPOBSA-N
MW199.32 g/mol
LogP1.84
Rot. Bonds4

About (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol

(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol (PubChem CID 106932207) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
PubChem CID106932207
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol
SMILESCc1cc(CNC[C@H](C)O)sc1C
InChIInChI=1S/C10H17NOS/c1-7-4-10(13-9(7)3)6-11-5-8(2)12/h4,8,11-12H,5-6H2,1-3H3/t8-/m0/s1
InChIKeyRSPWKXQWYKLROM-QMMMGPOBSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 65238696
3-[(4,5-dimethylthiophen-2-yl)methylamino]-2-methylpropanenitrile
CID 65243776
3-[(4,5-dimethylthiophen-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77061641
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410494
1-(2,4-difluorophenyl)-2-[(4,5-dimethylthiophen-2-yl)methylamino]ethanol
CID 65243575
1-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylheptane-1,6-diamine
CID 65296258
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 65243483
N-[(4,5-dimethylthiophen-2-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 65241403
N-[(4,5-dimethylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 65238850
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol?
The IUPAC name of (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol (CID 106932207) is (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol?
The canonical SMILES for (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol is Cc1cc(CNC[C@H](C)O)sc1C.
What is the InChIKey of (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol?
The InChIKey is RSPWKXQWYKLROM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7-4-10(13-9(7)3)6-11-5-8(2)12/h4,8,11-12H,5-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol?
(2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4,5-dimethylthiophen-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106932207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).