N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine

C12H21NO2S — CID 43511625

IUPACN-(dicyclopropylmethyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C12H21NO2S/c14-16(15)7-5-11(6-8-16)13-12(9-1-2-9)10-3-4-10/h9-13H,1-8H2
InChIKeyJXEGPZFCYRVUSH-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.34
Rot. Bonds4

About N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine

N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine (PubChem CID 43511625) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1,1-dioxothian-4-amine
PubChem CID43511625
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(dicyclopropylmethyl)-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC(C2CC2)C2CC2)CC1
InChIInChI=1S/C12H21NO2S/c14-16(15)7-5-11(6-8-16)13-12(9-1-2-9)10-3-4-10/h9-13H,1-8H2
InChIKeyJXEGPZFCYRVUSH-UHFFFAOYSA-N
XLogP1.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyclopropyl-2-[(1,1-dioxothian-4-yl)amino]acetate
CID 103239258
N-heptan-4-yl-1,1-dioxothian-4-amine
CID 43615035
N-[(4-chlorophenyl)-cyclopropylmethyl]-1,1-dioxothian-4-amine
CID 43778641
1-cyclopropyl-N-(dicyclopropylmethyl)piperidin-4-amine
CID 43747088
2-[(1,1-dioxothian-4-yl)amino]propanamide
CID 43545283
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 43778640
2-[(1,1-dioxothiepan-4-yl)amino]propanoic acid
CID 164654865
N-octan-4-yl-1,1-dioxothian-4-amine
CID 106023054
N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
1,1-dioxo-N-(4-phenylbutan-2-yl)thian-4-amine
CID 43511639
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine (CID 43511625) is N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine is O=S1(=O)CCC(NC(C2CC2)C2CC2)CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine?
The InChIKey is JXEGPZFCYRVUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-16(15)7-5-11(6-8-16)13-12(9-1-2-9)10-3-4-10/h9-13H,1-8H2.
What are the key properties of N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine?
N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine has a molecular weight of 243.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 43511625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).