(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H18ClNO2S2 — CID 26007241

IUPAC(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN(Cc1ccc(Cl)s1)C[C@H](O)COCc1cccs1
InChIInChI=1S/C14H18ClNO2S2/c1-16(8-12-4-5-14(15)20-12)7-11(17)9-18-10-13-3-2-6-19-13/h2-6,11,17H,7-10H2,1H3/t11-/m0/s1
InChIKeyOATSTFLZMSUPNQ-NSHDSACASA-N
MW331.89 g/mol
LogP3.47
Rot. Bonds8

About (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol

(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 26007241) has the molecular formula C14H18ClNO2S2 and a molecular weight of 331.89 g/mol. Its IUPAC name is (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID26007241
Molecular FormulaC14H18ClNO2S2
Molecular Weight331.89 g/mol
Exact Mass331.05
IUPAC Name(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN(Cc1ccc(Cl)s1)C[C@H](O)COCc1cccs1
InChIInChI=1S/C14H18ClNO2S2/c1-16(8-12-4-5-14(15)20-12)7-11(17)9-18-10-13-3-2-6-19-13/h2-6,11,17H,7-10H2,1H3/t11-/m0/s1
InChIKeyOATSTFLZMSUPNQ-NSHDSACASA-N
XLogP3.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[(4-bromophenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86976023
1-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111427544
1-[(3-methoxyphenyl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 17471420
1-(1,3-benzodioxol-5-ylmethoxy)-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propan-2-ol
CID 78793234
(2R)-1-[methyl(thiophen-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 129369879
1-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methoxy]-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 3962656
1-[1-cyclopropylethyl(methyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110884814
(2S)-1-(4-chloro-5-methylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243258
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
1-[methyl(thiophen-2-ylmethyl)amino]-3-(propylamino)propan-2-ol
CID 43527489
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 26007241) is (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is CN(Cc1ccc(Cl)s1)C[C@H](O)COCc1cccs1.
What is the InChIKey of (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is OATSTFLZMSUPNQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H18ClNO2S2/c1-16(8-12-4-5-14(15)20-12)7-11(17)9-18-10-13-3-2-6-19-13/h2-6,11,17H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 331.89 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 26007241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).