N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine

C11H21NO2S — CID 115900871

IUPACN-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
SMILESCC(CNC1CCCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C11H21NO2S/c1-9(10-4-5-10)7-12-11-3-2-6-15(13,14)8-11/h9-12H,2-8H2,1H3
InChIKeyUGIMPEMXBQNBEL-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.20
Rot. Bonds4

About N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine

N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine (PubChem CID 115900871) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
PubChem CID115900871
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
SMILESCC(CNC1CCCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C11H21NO2S/c1-9(10-4-5-10)7-12-11-3-2-6-15(13,14)8-11/h9-12H,2-8H2,1H3
InChIKeyUGIMPEMXBQNBEL-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N-(2,2-difluoroethyl)-1,1-dioxothian-3-amine
CID 63922755
N-(2,2-dimethoxyethyl)-1,1-dioxothian-3-amine
CID 63923418
1,1-dioxo-N-(2-piperidin-1-ylpropyl)thian-3-amine
CID 63921831
N-(2-cyclopropylpropyl)cyclooctanamine
CID 115592679
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
CID 106065916
1-[(1,1-dioxothian-3-yl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 63924316
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
N-[(1-methylsulfanylcyclopropyl)methyl]-1,1-dioxothian-3-amine
CID 107269974
N-nonyl-1,1-dioxothian-3-amine
CID 63923728

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine (CID 115900871) is N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine is CC(CNC1CCCS(=O)(=O)C1)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine?
The InChIKey is UGIMPEMXBQNBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-9(10-4-5-10)7-12-11-3-2-6-15(13,14)8-11/h9-12H,2-8H2,1H3.
What are the key properties of N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine?
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine has a molecular weight of 231.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine is sourced from PubChem (CID 115900871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).