1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C15H25NO2S — CID 24713468

IUPAC1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)18-10-14(17)9-16(13-4-5-13)8-12-6-7-19-11-12/h6-7,11,13-14,17H,4-5,8-10H2,1-3H3
InChIKeySJSJXHHZJVPHHK-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.89
Rot. Bonds7

About 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 24713468) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID24713468
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CN(Cc1ccsc1)C1CC1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)18-10-14(17)9-16(13-4-5-13)8-12-6-7-19-11-12/h6-7,11,13-14,17H,4-5,8-10H2,1-3H3
InChIKeySJSJXHHZJVPHHK-UHFFFAOYSA-N
XLogP2.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[cyclopropyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93160983
1-[butan-2-yl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 46007292
1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63900408
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
CID 65296493
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpropanal
CID 62276426
4-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-ethoxybutanoic acid
CID 55147673
tert-butyl 2-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoate
CID 64687774
5-[cyclopropyl(thiophen-3-ylmethyl)amino]-2,2-dimethylpentanoic acid
CID 65255298
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 24713468) is 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CN(Cc1ccsc1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is SJSJXHHZJVPHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(2,3)18-10-14(17)9-16(13-4-5-13)8-12-6-7-19-11-12/h6-7,11,13-14,17H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 283.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 24713468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).