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

C9H19NS — CID 84654746

IUPACN,2-dimethyl-1-(thiolan-3-yl)propan-2-amine
SMILESCNC(C)(C)CC1CCSC1
InChIInChI=1S/C9H19NS/c1-9(2,10-3)6-8-4-5-11-7-8/h8,10H,4-7H2,1-3H3
InChIKeyLOIOAZBBAWYNHF-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds3

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

N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine (PubChem CID 84654746) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(thiolan-3-yl)propan-2-amine
PubChem CID84654746
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC NameN,2-dimethyl-1-(thiolan-3-yl)propan-2-amine
SMILESCNC(C)(C)CC1CCSC1
InChIInChI=1S/C9H19NS/c1-9(2,10-3)6-8-4-5-11-7-8/h8,10H,4-7H2,1-3H3
InChIKeyLOIOAZBBAWYNHF-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)thiolane
CID 58797584
2,2-difluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
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2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
N-methyl-1-[2-(thiolan-3-yl)ethyl]cyclopropan-1-amine
CID 84660283
(Z)-N-methyl-4-(thiolan-3-yl)but-2-en-1-amine
CID 117265727
(3S)-3-methylthiolane
CID 58024233
1,1-dimethyl-2-(thiolan-3-ylmethyl)hydrazine
CID 107132348
3-amino-3-methyl-N-(thiolan-3-ylmethyl)butanamide
CID 107296097
sodium thiolan-3-ylmethanethiolate
CID 20706984
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine?
The IUPAC name of N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine (CID 84654746) is N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine.
What is the SMILES notation for N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine?
The canonical SMILES for N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine is CNC(C)(C)CC1CCSC1.
What is the InChIKey of N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine?
The InChIKey is LOIOAZBBAWYNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-9(2,10-3)6-8-4-5-11-7-8/h8,10H,4-7H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine?
N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(thiolan-3-yl)propan-2-amine is sourced from PubChem (CID 84654746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).