4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol

C13H21NO2S — CID 103911516

IUPAC4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(c1cccs1)C1CC1
InChIInChI=1S/C13H21NO2S/c1-16-9-11(15)6-7-14-13(10-4-5-10)12-3-2-8-17-12/h2-3,8,10-11,13-15H,4-7,9H2,1H3
InChIKeyWFDLHPWZGGXDPO-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.19
Rot. Bonds8

About 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol

4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol (PubChem CID 103911516) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
PubChem CID103911516
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
SMILESCOCC(O)CCNC(c1cccs1)C1CC1
InChIInChI=1S/C13H21NO2S/c1-16-9-11(15)6-7-14-13(10-4-5-10)12-3-2-8-17-12/h2-3,8,10-11,13-15H,4-7,9H2,1H3
InChIKeyWFDLHPWZGGXDPO-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol with MolForge

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Related Compounds

N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 54982977
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-3-methylbutan-1-ol
CID 66091284
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 138960997
N-[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 64776035
N-[cyclopentyl(thiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 60816179
2-butoxy-N-[cyclopentyl(thiophen-2-yl)methyl]ethanamine
CID 61170868
N-[(4-tert-butylcyclohexyl)-thiophen-2-ylmethyl]propan-1-amine
CID 63501793
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-[cyclopropyl(thiophen-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326887

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol?
The IUPAC name of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol (CID 103911516) is 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol.
What is the SMILES notation for 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol?
The canonical SMILES for 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol is COCC(O)CCNC(c1cccs1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol?
The InChIKey is WFDLHPWZGGXDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-16-9-11(15)6-7-14-13(10-4-5-10)12-3-2-8-17-12/h2-3,8,10-11,13-15H,4-7,9H2,1H3.
What are the key properties of 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol?
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol has a molecular weight of 255.38 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol is sourced from PubChem (CID 103911516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).