N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide

C15H31NO2SSn — CID 18714020

IUPACN-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CC=C([Sn](C)(C)C)CC1
InChIInChI=1S/C12H22NO2S.3CH3.Sn/c1-10(2)16(14,15)13-9-11(3)12-7-5-4-6-8-12;;;;/h5,10-13H,6-9H2,1-3H3;3*1H3;
InChIKeyTXLTWGRHNIJEDX-UHFFFAOYSA-N
MW408.20 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide

N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide (PubChem CID 18714020) has the molecular formula C15H31NO2SSn and a molecular weight of 408.20 g/mol. Its IUPAC name is N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
PubChem CID18714020
Molecular FormulaC15H31NO2SSn
Molecular Weight408.20 g/mol
Exact Mass409.11
IUPAC NameN-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide
SMILESCC(CNS(=O)(=O)C(C)C)C1CC=C([Sn](C)(C)C)CC1
InChIInChI=1S/C12H22NO2S.3CH3.Sn/c1-10(2)16(14,15)13-9-11(3)12-7-5-4-6-8-12;;;;/h5,10-13H,6-9H2,1-3H3;3*1H3;
InChIKeyTXLTWGRHNIJEDX-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.20
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-(4-cyclopentyl)-3-cyclohexen-1-yl]propyl] 2-propanesulfonamide
CID 15541827
n-(Bicyclo(2.2.1)hept-5-ene-2-ylmethyl)ethanesulfonamide
CID 18468853
N-(bicyclo(2.2.1)hept-5-ene-2-ylmethyl)propanesulfonamide
CID 18468854
N-[(6-methylidenecyclohex-3-en-1-yl)methyl]methanesulfonamide
CID 23528931
4-(2-Aminoethyl)cyclohexene-1-sulfonamide
CID 70974426
(2Z)-4-(2-aminoethyl)hepta-2,6-diene-1-sulfonamide
CID 89154006
[(4R)-4-methyl-5-methylsulfonylcyclohex-2-en-1-yl]methanamine
CID 89495945
5-(Aminomethyl)cyclohex-2-ene-1-sulfonamide
CID 132094592
N-ethyl-4-methylcyclohexene-1-sulfonamide
CID 163457925
(Z)-1-(6-methylidenecyclohexa-2,4-dien-1-yl)-N-pentylbut-2-ene-1-sulfonamide
CID 167138443
(4S)-4-[(2R,3R)-3-aminobutan-2-yl]cyclobut-2-ene-1-sulfonyl chloride
CID 174149422
N-(cyclohex-3-en-1-ylmethyl)ethanesulfonamide
CID 61808806

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide (CID 18714020) is N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide is CC(CNS(=O)(=O)C(C)C)C1CC=C([Sn](C)(C)C)CC1.
What is the InChIKey of N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
The InChIKey is TXLTWGRHNIJEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO2S.3CH3.Sn/c1-10(2)16(14,15)13-9-11(3)12-7-5-4-6-8-12;;;;/h5,10-13H,6-9H2,1-3H3;3*1H3;.
What are the key properties of N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide?
N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide has a molecular weight of 408.20 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-trimethylstannylcyclohex-3-en-1-yl)propyl]propane-2-sulfonamide is sourced from PubChem (CID 18714020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).