(2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol

C9H15NOS — CID 130731401

IUPAC(2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc([C@@](C)(N)CO)sc1C
InChIInChI=1S/C9H15NOS/c1-6-4-8(12-7(6)2)9(3,10)5-11/h4,11H,5,10H2,1-3H3/t9-/m0/s1
InChIKeyDDUFDNMFRMYIOW-VIFPVBQESA-N
MW185.29 g/mol
LogP1.53
Rot. Bonds2

About (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol

(2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol (PubChem CID 130731401) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
PubChem CID130731401
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol
SMILESCc1cc([C@@](C)(N)CO)sc1C
InChIInChI=1S/C9H15NOS/c1-6-4-8(12-7(6)2)9(3,10)5-11/h4,11H,5,10H2,1-3H3/t9-/m0/s1
InChIKeyDDUFDNMFRMYIOW-VIFPVBQESA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The IUPAC name of (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol (CID 130731401) is (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol is Cc1cc([C@@](C)(N)CO)sc1C.
What is the InChIKey of (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
The InChIKey is DDUFDNMFRMYIOW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NOS/c1-6-4-8(12-7(6)2)9(3,10)5-11/h4,11H,5,10H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol?
(2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol has a molecular weight of 185.29 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4,5-dimethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 130731401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).