4-(2-methylpropylsulfonyl)heptane

C11H24O2S — CID 142872374

IUPAC4-(2-methylpropylsulfonyl)heptane
SMILESCCCC(CCC)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H24O2S/c1-5-7-11(8-6-2)14(12,13)9-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyKXLSKLKBFCBMPX-UHFFFAOYSA-N
MW220.38 g/mol
LogP3.03
Rot. Bonds7

About 4-(2-methylpropylsulfonyl)heptane

4-(2-methylpropylsulfonyl)heptane (PubChem CID 142872374) has the molecular formula C11H24O2S and a molecular weight of 220.38 g/mol. Its IUPAC name is 4-(2-methylpropylsulfonyl)heptane.

Molecular Properties

Compound Name4-(2-methylpropylsulfonyl)heptane
PubChem CID142872374
Molecular FormulaC11H24O2S
Molecular Weight220.38 g/mol
Exact Mass220.15
IUPAC Name4-(2-methylpropylsulfonyl)heptane
SMILESCCCC(CCC)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H24O2S/c1-5-7-11(8-6-2)14(12,13)9-10(3)4/h10-11H,5-9H2,1-4H3
InChIKeyKXLSKLKBFCBMPX-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropylsulfonyl)pentan-1-amine
CID 64697185
2-(2-methylpropylsulfonyl)butan-1-amine
CID 64696769
2-heptan-4-ylsulfonylethanamine
CID 142872402
1-(diiodomethylsulfonyl)-2-methylpropane
CID 21439589
4-butan-2-ylsulfonylheptane
CID 140508909
1-(2-methylpropylsulfonyl)-N-propylpentan-2-amine
CID 64647016
(2S)-2-[(2-chloroacetyl)amino]-3-heptan-4-ylsulfonylpropanoic acid
CID 87782762
2-amino-3-heptan-4-ylsulfonylpropanamide;2,2,2-trifluoroacetic acid
CID 87783313
dimethyl-(2-methylpropyl)-pentan-2-yl-λ4-sulfane
CID 123444317
2-methylpentane
CID 7892
2-ethylsulfonylhexane-3-thiol
CID 91271388
hexane;2-methylpentane
CID 19835603

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfonyl)heptane?
The IUPAC name of 4-(2-methylpropylsulfonyl)heptane (CID 142872374) is 4-(2-methylpropylsulfonyl)heptane.
What is the SMILES notation for 4-(2-methylpropylsulfonyl)heptane?
The canonical SMILES for 4-(2-methylpropylsulfonyl)heptane is CCCC(CCC)S(=O)(=O)CC(C)C.
What is the InChIKey of 4-(2-methylpropylsulfonyl)heptane?
The InChIKey is KXLSKLKBFCBMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2S/c1-5-7-11(8-6-2)14(12,13)9-10(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-(2-methylpropylsulfonyl)heptane?
4-(2-methylpropylsulfonyl)heptane has a molecular weight of 220.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfonyl)heptane is sourced from PubChem (CID 142872374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).