2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine

C10H21NS — CID 107131923

IUPAC2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCC1CCSC1
InChIInChI=1S/C10H21NS/c1-10(2,3)8-11-6-9-4-5-12-7-9/h9,11H,4-8H2,1-3H3
InChIKeyIQTIHGSHVOSCOG-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.38
Rot. Bonds3

About 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine

2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine (PubChem CID 107131923) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
PubChem CID107131923
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESCC(C)(C)CNCC1CCSC1
InChIInChI=1S/C10H21NS/c1-10(2,3)8-11-6-9-4-5-12-7-9/h9,11H,4-8H2,1-3H3
InChIKeyIQTIHGSHVOSCOG-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

3-(2,2-dimethylpropyl)thiolane
CID 58797584
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol
CID 107166358
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
2-tert-butylsulfonyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166323
2-methyl-1-(thian-4-ylmethylamino)butan-2-ol
CID 114493697
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442
2,2-difluoro-2-phenyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107166921
N-methyl-1-(thiolan-3-yl)methanamine;molecular hydrogen
CID 145167793
2,2-dimethyl-N-[(4-methylcyclohexyl)methyl]propan-1-amine
CID 63001387
N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166780

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine (CID 107131923) is 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine is CC(C)(C)CNCC1CCSC1.
What is the InChIKey of 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine?
The InChIKey is IQTIHGSHVOSCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,3)8-11-6-9-4-5-12-7-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine?
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 107131923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).