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

C12H23NS — CID 104537124

IUPAC1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
SMILESCC(CC1CC1)NCC1CCCCS1
InChIInChI=1S/C12H23NS/c1-10(8-11-5-6-11)13-9-12-4-2-3-7-14-12/h10-13H,2-9H2,1H3
InChIKeyGPWSOKPGQLUYGJ-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds5

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

1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine (PubChem CID 104537124) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
PubChem CID104537124
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
SMILESCC(CC1CC1)NCC1CCCCS1
InChIInChI=1S/C12H23NS/c1-10(8-11-5-6-11)13-9-12-4-2-3-7-14-12/h10-13H,2-9H2,1H3
InChIKeyGPWSOKPGQLUYGJ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
CID 80599814
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
1-cyclopropyl-2-methoxy-N-(thian-2-ylmethyl)ethanamine
CID 80601236
1,1-dicyclopropyl-N-(thiolan-2-ylmethyl)methanamine
CID 80584362
1-(4-methoxyphenyl)-N-(thian-2-ylmethyl)propan-2-amine
CID 80595743
1-cyclopropyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115713187
N-prop-2-ynyl-2-(thian-2-ylmethylamino)propanamide
CID 80600231

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine (CID 104537124) is 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine is CC(CC1CC1)NCC1CCCCS1.
What is the InChIKey of 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine?
The InChIKey is GPWSOKPGQLUYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(8-11-5-6-11)13-9-12-4-2-3-7-14-12/h10-13H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine?
1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 104537124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).