N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine

C12H24N2OS — CID 104665766

IUPACN-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NC2CCS(=O)CC2)C1
InChIInChI=1S/C12H24N2OS/c1-10(2)14-6-3-12(9-14)13-11-4-7-16(15)8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyLOMLLSPKEFZTLN-UHFFFAOYSA-N
MW244.40 g/mol
LogP0.97
Rot. Bonds3

About N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine

N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 104665766) has the molecular formula C12H24N2OS and a molecular weight of 244.40 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID104665766
Molecular FormulaC12H24N2OS
Molecular Weight244.40 g/mol
Exact Mass244.16
IUPAC NameN-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(NC2CCS(=O)CC2)C1
InChIInChI=1S/C12H24N2OS/c1-10(2)14-6-3-12(9-14)13-11-4-7-16(15)8-5-11/h10-13H,3-9H2,1-2H3
InChIKeyLOMLLSPKEFZTLN-UHFFFAOYSA-N
XLogP0.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3,3-difluorocyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
CID 170652295
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463
1-propan-2-yl-N-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-amine
CID 79352090
N-(2-methylcyclopropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 62396542
(3S)-N,1-di(propan-2-yl)pyrrolidin-3-amine
CID 94057880
N-methyl-1-propan-2-ylpyrrolidin-3-amine;molecular hydrogen
CID 177033452
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
N-(2-methylcyclopentyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63277763
1-propan-2-yl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71632965
1-propan-2-yl-N-(thietan-3-yl)piperidin-4-amine
CID 126987499
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
(1-propan-2-ylpyrrolidin-3-yl)cyanamide
CID 130950441

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine (CID 104665766) is N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CCC(NC2CCS(=O)CC2)C1.
What is the InChIKey of N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is LOMLLSPKEFZTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2OS/c1-10(2)14-6-3-12(9-14)13-11-4-7-16(15)8-5-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine?
N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 244.40 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 104665766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).