4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol

C10H17NOS — CID 115883116

IUPAC4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccsc1
InChIInChI=1S/C10H17NOS/c1-9(12)3-5-11(2)7-10-4-6-13-8-10/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyYVLBBPGNIRMPFK-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.95
Rot. Bonds5

About 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol

4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol (PubChem CID 115883116) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
PubChem CID115883116
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
SMILESCC(O)CCN(C)Cc1ccsc1
InChIInChI=1S/C10H17NOS/c1-9(12)3-5-11(2)7-10-4-6-13-8-10/h4,6,8-9,12H,3,5,7H2,1-2H3
InChIKeyYVLBBPGNIRMPFK-UHFFFAOYSA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(thiophen-3-ylmethyl)butane-1,3-diamine
CID 60840868
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282
1-(2-bromophenyl)-3-[methyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62622929
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759
1-[(3R)-3-hydroxybutyl]-1-methyl-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 97324984
3-bromo-N-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 61286719
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62643783
N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
N-ethyl-N'-methyl-1-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62612447
1-N,4,4-trimethyl-3-N-propyl-1-N-(thiophen-3-ylmethyl)pentane-1,3-diamine
CID 55098279
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
3-bromo-N,2-dimethyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 64996092

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol (CID 115883116) is 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol is CC(O)CCN(C)Cc1ccsc1.
What is the InChIKey of 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol?
The InChIKey is YVLBBPGNIRMPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-9(12)3-5-11(2)7-10-4-6-13-8-10/h4,6,8-9,12H,3,5,7H2,1-2H3.
What are the key properties of 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol?
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol is sourced from PubChem (CID 115883116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).