1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol

C14H25NO2S — CID 111753828

IUPAC1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C(C)Cc1ccsc1
InChIInChI=1S/C14H25NO2S/c1-11(2)17-9-14(16)8-15(4)12(3)7-13-5-6-18-10-13/h5-6,10-12,14,16H,7-9H2,1-4H3
InChIKeyXPTTXOSYRNQHCR-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.40
Rot. Bonds8

About 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol

1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 111753828) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID111753828
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)C(C)Cc1ccsc1
InChIInChI=1S/C14H25NO2S/c1-11(2)17-9-14(16)8-15(4)12(3)7-13-5-6-18-10-13/h5-6,10-12,14,16H,7-9H2,1-4H3
InChIKeyXPTTXOSYRNQHCR-UHFFFAOYSA-N
XLogP2.40
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dimethylamino)-3-thiophen-3-ylpropan-2-ol
CID 79087960
5-[methyl(1-thiophen-3-ylpropan-2-yl)amino]pentan-1-ol
CID 111635853
3-(propan-2-yloxymethyl)thiophene
CID 146745191
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007292
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-(2-fluoropropyl)thiophene
CID 74766003
1-thiophen-3-yltetradecan-2-ol
CID 105090220
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-(4-chlorophenoxy)propan-2-ol
CID 42682273
4-methyl-5-thiophen-3-ylpentan-2-ol
CID 64719896
4-methyl-1-thiophen-3-ylpentane-2,3-diol
CID 103456677
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine
CID 166314412

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol (CID 111753828) is 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(C)C(C)Cc1ccsc1.
What is the InChIKey of 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is XPTTXOSYRNQHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-11(2)17-9-14(16)8-15(4)12(3)7-13-5-6-18-10-13/h5-6,10-12,14,16H,7-9H2,1-4H3.
What are the key properties of 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol?
1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 271.43 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1-thiophen-3-ylpropan-2-yl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 111753828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).