3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine

C10H21NS — CID 107131174

IUPAC3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
SMILESCC(C)CCNCC1CCSC1
InChIInChI=1S/C10H21NS/c1-9(2)3-5-11-7-10-4-6-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyPKCNQYSLSQDKES-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.38
Rot. Bonds5

About 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine

3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine (PubChem CID 107131174) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
PubChem CID107131174
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
SMILESCC(C)CCNCC1CCSC1
InChIInChI=1S/C10H21NS/c1-9(2)3-5-11-7-10-4-6-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyPKCNQYSLSQDKES-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(thiolan-3-ylmethyl)hexan-1-amine
CID 107132315
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-butan-2-yl-3-(thiolan-3-ylmethylamino)propanamide
CID 107131903
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
2-(1-methylpiperidin-4-yl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132495
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
2-(2-methylprop-2-enoxy)-N-(thiolan-3-ylmethyl)ethanamine
CID 107132493
2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166323
2-N-methyl-1-N-(3-methylbutyl)-2-N-(thiolan-3-yl)propane-1,2-diamine
CID 62568613

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine (CID 107131174) is 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine is CC(C)CCNCC1CCSC1.
What is the InChIKey of 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine?
The InChIKey is PKCNQYSLSQDKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(2)3-5-11-7-10-4-6-12-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine?
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 107131174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).