3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol

C12H19NO2S — CID 66169808

IUPAC3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC(c1cccs1)C1CC1
InChIInChI=1S/C12H19NO2S/c1-12(15,8-14)7-13-11(9-4-5-9)10-3-2-6-16-10/h2-3,6,9,11,13-15H,4-5,7-8H2,1H3
InChIKeyBLIBTZVDDMARDD-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.53
Rot. Bonds6

About 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol

3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol (PubChem CID 66169808) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol.

Molecular Properties

Compound Name3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
PubChem CID66169808
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol
SMILESCC(O)(CO)CNC(c1cccs1)C1CC1
InChIInChI=1S/C12H19NO2S/c1-12(15,8-14)7-13-11(9-4-5-9)10-3-2-6-16-10/h2-3,6,9,11,13-15H,4-5,7-8H2,1H3
InChIKeyBLIBTZVDDMARDD-UHFFFAOYSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[cyclopropyl(thiophen-2-yl)methyl]amino]methyl]pentan-3-ol
CID 65108397
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-tert-butyl-2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetamide
CID 113220254
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
2-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 113220009
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
N-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
tert-butyl N-[3-[[cyclopropyl(thiophen-2-yl)methyl]amino]propyl]carbamate
CID 103910636
N-[cyclopropyl(thiophen-2-yl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981496
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol?
The IUPAC name of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol (CID 66169808) is 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol.
What is the SMILES notation for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol?
The canonical SMILES for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol is CC(O)(CO)CNC(c1cccs1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol?
The InChIKey is BLIBTZVDDMARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-12(15,8-14)7-13-11(9-4-5-9)10-3-2-6-16-10/h2-3,6,9,11,13-15H,4-5,7-8H2,1H3.
What are the key properties of 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol?
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol has a molecular weight of 241.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-2-methylpropane-1,2-diol is sourced from PubChem (CID 66169808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).