1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine

C10H19NO2S — CID 155487558

IUPAC1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
SMILESCC(C)C1(CNC2CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-8(2)10(3-4-10)7-11-9-5-14(12,13)6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyIEBGVAQZHJXALQ-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.81
Rot. Bonds4

About 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine

1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine (PubChem CID 155487558) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine.

Molecular Properties

Compound Name1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
PubChem CID155487558
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
SMILESCC(C)C1(CNC2CS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19NO2S/c1-8(2)10(3-4-10)7-11-9-5-14(12,13)6-9/h8-9,11H,3-7H2,1-2H3
InChIKeyIEBGVAQZHJXALQ-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylcyclobutyl)methyl]-1,1-dioxothietan-3-amine
CID 130635070
N-[(2-methylthiolan-2-yl)methyl]-1,1-dioxothietan-3-amine
CID 127014969
1-[4-[(1-propan-2-ylcyclopropyl)methylamino]piperidin-1-yl]ethanone
CID 103743396
N-[(1-propan-2-ylcyclopropyl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 113454913
1-propan-2-yl-N-[(1-propan-2-ylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115689748
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 103903238
N-[(1-methylcyclopentyl)methyl]-1,1-dioxothiolan-3-amine
CID 63822404
1,1-di(cyclobutyl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 112743271
N-[2-(2-methylprop-2-enoxy)ethyl]-1,1-dioxothietan-3-amine
CID 135392293
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
N-[(1-propan-2-ylcyclopropyl)methyl]butan-2-amine
CID 103903233
N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide
CID 130807083

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
The IUPAC name of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine (CID 155487558) is 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine.
What is the SMILES notation for 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
The canonical SMILES for 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine is CC(C)C1(CNC2CS(=O)(=O)C2)CC1.
What is the InChIKey of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
The InChIKey is IEBGVAQZHJXALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(2)10(3-4-10)7-11-9-5-14(12,13)6-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine?
1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine is sourced from PubChem (CID 155487558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).