2-methyl-N-(thian-2-ylmethyl)propan-1-amine

C10H21NS — CID 80593621

IUPAC2-methyl-N-(thian-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCCCS1
InChIInChI=1S/C10H21NS/c1-9(2)7-11-8-10-5-3-4-6-12-10/h9-11H,3-8H2,1-2H3
InChIKeyASVUEQLOGQMRSA-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds4

About 2-methyl-N-(thian-2-ylmethyl)propan-1-amine

2-methyl-N-(thian-2-ylmethyl)propan-1-amine (PubChem CID 80593621) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-N-(thian-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(thian-2-ylmethyl)propan-1-amine
PubChem CID80593621
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-(thian-2-ylmethyl)propan-1-amine
SMILESCC(C)CNCC1CCCCS1
InChIInChI=1S/C10H21NS/c1-9(2)7-11-8-10-5-3-4-6-12-10/h9-11H,3-8H2,1-2H3
InChIKeyASVUEQLOGQMRSA-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
2-methyl-3-(thiolan-2-ylmethylamino)propanenitrile
CID 80585360
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
2-amino-3-(thian-2-ylmethylamino)propanoic acid
CID 80612859
2-(thian-2-ylmethylamino)ethanol
CID 80601199
N'-hydroxy-2-methyl-3-(thiolan-2-ylmethylamino)propanimidamide
CID 80585506
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593
ethyl 2-methyl-3-(thiolan-2-ylmethylamino)propanoate
CID 80585302
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786
1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
CID 104537124
N-(thian-2-ylmethyl)hexan-1-amine
CID 80600552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thian-2-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(thian-2-ylmethyl)propan-1-amine (CID 80593621) is 2-methyl-N-(thian-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(thian-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(thian-2-ylmethyl)propan-1-amine is CC(C)CNCC1CCCCS1.
What is the InChIKey of 2-methyl-N-(thian-2-ylmethyl)propan-1-amine?
The InChIKey is ASVUEQLOGQMRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(2)7-11-8-10-5-3-4-6-12-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-N-(thian-2-ylmethyl)propan-1-amine?
2-methyl-N-(thian-2-ylmethyl)propan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thian-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 80593621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).