N,N-bis(3-methylbutyl)propane-2-sulfonamide

C13H29NO2S — CID 59532443

IUPACN,N-bis(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)C(C)C
InChIInChI=1S/C13H29NO2S/c1-11(2)7-9-14(10-8-12(3)4)17(15,16)13(5)6/h11-13H,7-10H2,1-6H3
InChIKeyDBJNWDUUHUPLPF-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.12
Rot. Bonds8

About N,N-bis(3-methylbutyl)propane-2-sulfonamide

N,N-bis(3-methylbutyl)propane-2-sulfonamide (PubChem CID 59532443) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)propane-2-sulfonamide
PubChem CID59532443
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN,N-bis(3-methylbutyl)propane-2-sulfonamide
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)C(C)C
InChIInChI=1S/C13H29NO2S/c1-11(2)7-9-14(10-8-12(3)4)17(15,16)13(5)6/h11-13H,7-10H2,1-6H3
InChIKeyDBJNWDUUHUPLPF-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)propane-2-sulfonamide?
The IUPAC name of N,N-bis(3-methylbutyl)propane-2-sulfonamide (CID 59532443) is N,N-bis(3-methylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)propane-2-sulfonamide?
The canonical SMILES for N,N-bis(3-methylbutyl)propane-2-sulfonamide is CC(C)CCN(CCC(C)C)S(=O)(=O)C(C)C.
What is the InChIKey of N,N-bis(3-methylbutyl)propane-2-sulfonamide?
The InChIKey is DBJNWDUUHUPLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-11(2)7-9-14(10-8-12(3)4)17(15,16)13(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of N,N-bis(3-methylbutyl)propane-2-sulfonamide?
N,N-bis(3-methylbutyl)propane-2-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 59532443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).