2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol

C9H14BrNO2S — CID 75525074

IUPAC2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1sccc1Br
InChIInChI=1S/C9H14BrNO2S/c1-9(5-12,6-13)11-4-8-7(10)2-3-14-8/h2-3,11-13H,4-6H2,1H3
InChIKeyGOHMUDKXVRFZQI-UHFFFAOYSA-N
MW280.19 g/mol
LogP1.34
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol

2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol (PubChem CID 75525074) has the molecular formula C9H14BrNO2S and a molecular weight of 280.19 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol
PubChem CID75525074
Molecular FormulaC9H14BrNO2S
Molecular Weight280.19 g/mol
Exact Mass278.99
IUPAC Name2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)NCc1sccc1Br
InChIInChI=1S/C9H14BrNO2S/c1-9(5-12,6-13)11-4-8-7(10)2-3-14-8/h2-3,11-13H,4-6H2,1H3
InChIKeyGOHMUDKXVRFZQI-UHFFFAOYSA-N
XLogP1.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-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

methyl 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropanoate
CID 78952228
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104756410
3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
CID 65111901
4-(3-bromothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 81022935
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
tert-butyl N-[4-[(3-bromothiophen-2-yl)methylamino]phenyl]carbamate
CID 104756602
2-bromo-N-[(3-bromothiophen-2-yl)methyl]-4-methylaniline
CID 63490139
N-[[5-[(3-bromothiophen-2-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79794186
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808
4-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylaniline
CID 63488263

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol (CID 75525074) is 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol is CC(CO)(CO)NCc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol?
The InChIKey is GOHMUDKXVRFZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNO2S/c1-9(5-12,6-13)11-4-8-7(10)2-3-14-8/h2-3,11-13H,4-6H2,1H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol?
2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol has a molecular weight of 280.19 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol is sourced from PubChem (CID 75525074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).