1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine

C12H24N2O2S — CID 79540198

IUPAC1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine
SMILESCC(CC1CCCN1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-10(8-11-4-2-6-13-11)14-12-5-3-7-17(15,16)9-12/h10-14H,2-9H2,1H3
InChIKeyMGGKEQDVGBYJQL-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.68
Rot. Bonds4

About 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine

1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine (PubChem CID 79540198) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine
PubChem CID79540198
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine
SMILESCC(CC1CCCN1)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H24N2O2S/c1-10(8-11-4-2-6-13-11)14-12-5-3-7-17(15,16)9-12/h10-14H,2-9H2,1H3
InChIKeyMGGKEQDVGBYJQL-UHFFFAOYSA-N
XLogP0.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-2-ylpropan-2-yl)cyclohexanamine
CID 79549011
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
4-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541223
4,4-dimethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79541757
1-(1,1-dioxothian-3-yl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117234755
3-[(1,1-dioxothian-3-yl)amino]butanenitrile
CID 63922147
N-heptan-2-yl-1,1-dioxothian-3-amine
CID 63911252
N-(1-pyrrolidin-2-ylpropan-2-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79541274
1-cyclopropyl-N-(1-piperidin-2-ylpropan-2-yl)piperidin-4-amine
CID 79538874
N-[1-(azepan-2-yl)propan-2-yl]-1-methylpyrrolidin-3-amine
CID 79560963
3-[(1,1-dioxothian-3-yl)amino]-N'-hydroxybutanimidamide
CID 77028702
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine?
The IUPAC name of 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine (CID 79540198) is 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine.
What is the SMILES notation for 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine?
The canonical SMILES for 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine is CC(CC1CCCN1)NC1CCCS(=O)(=O)C1.
What is the InChIKey of 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine?
The InChIKey is MGGKEQDVGBYJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(8-11-4-2-6-13-11)14-12-5-3-7-17(15,16)9-12/h10-14H,2-9H2,1H3.
What are the key properties of 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine?
1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine has a molecular weight of 260.40 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-(1-pyrrolidin-2-ylpropan-2-yl)thian-3-amine is sourced from PubChem (CID 79540198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).