4-[methyl(thian-3-yl)amino]butanoic acid

C10H19NO2S — CID 65068282

IUPAC4-[methyl(thian-3-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C1CCCSC1
InChIInChI=1S/C10H19NO2S/c1-11(6-2-5-10(12)13)9-4-3-7-14-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyMXDOXOQGSGZYRV-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.68
Rot. Bonds5

About 4-[methyl(thian-3-yl)amino]butanoic acid

4-[methyl(thian-3-yl)amino]butanoic acid (PubChem CID 65068282) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-[methyl(thian-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(thian-3-yl)amino]butanoic acid
PubChem CID65068282
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-[methyl(thian-3-yl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C1CCCSC1
InChIInChI=1S/C10H19NO2S/c1-11(6-2-5-10(12)13)9-4-3-7-14-8-9/h9H,2-8H2,1H3,(H,12,13)
InChIKeyMXDOXOQGSGZYRV-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(thian-3-yl)anilino]butanoic acid
CID 65056974
6-[methyl(thiolan-3-yl)amino]hexan-3-one
CID 106801314
3-[methyl(thian-3-yl)amino]butanoic acid
CID 110838575
4-[[methyl(thiolan-3-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197986
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
2-[tert-butyl(thian-3-yl)amino]acetic acid
CID 79269334
N-(3-chloropropyl)-N-methylthiolan-3-amine
CID 61289342
N-(2-bromoprop-2-enyl)-N-methylthian-3-amine
CID 130684412
2-[2-methoxyethyl(thian-3-yl)amino]acetic acid
CID 65067453
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thian-3-yl)amino]butanoic acid?
The IUPAC name of 4-[methyl(thian-3-yl)amino]butanoic acid (CID 65068282) is 4-[methyl(thian-3-yl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(thian-3-yl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(thian-3-yl)amino]butanoic acid is CN(CCCC(=O)O)C1CCCSC1.
What is the InChIKey of 4-[methyl(thian-3-yl)amino]butanoic acid?
The InChIKey is MXDOXOQGSGZYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-11(6-2-5-10(12)13)9-4-3-7-14-8-9/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 4-[methyl(thian-3-yl)amino]butanoic acid?
4-[methyl(thian-3-yl)amino]butanoic acid has a molecular weight of 217.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thian-3-yl)amino]butanoic acid is sourced from PubChem (CID 65068282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).