N,N-bis(2-cyanoethyl)butane-1-sulfonamide

C10H17N3O2S — CID 159091240

IUPACN,N-bis(2-cyanoethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC#N)CCC#N
InChIInChI=1S/C10H17N3O2S/c1-2-3-10-16(14,15)13(8-4-6-11)9-5-7-12/h2-5,8-10H2,1H3
InChIKeyKCBWAMCRODCXQW-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.25
Rot. Bonds8

About N,N-bis(2-cyanoethyl)butane-1-sulfonamide

N,N-bis(2-cyanoethyl)butane-1-sulfonamide (PubChem CID 159091240) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)butane-1-sulfonamide
PubChem CID159091240
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN,N-bis(2-cyanoethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC#N)CCC#N
InChIInChI=1S/C10H17N3O2S/c1-2-3-10-16(14,15)13(8-4-6-11)9-5-7-12/h2-5,8-10H2,1H3
InChIKeyKCBWAMCRODCXQW-UHFFFAOYSA-N
XLogP1.25
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dibutylethanesulfonamide
CID 303050
3-cyano-N-[2-(dimethylamino)ethyl]-N-methylpropane-1-sulfonamide
CID 71975642
N,N-dipropylethanesulfonamide
CID 303053
N,N-dipropylpropane-1-sulfonamide
CID 303060
N,N-dibutylpropane-1-sulfonamide
CID 303061
N,N-dipropylbutane-1-sulfonamide
CID 303062
N,N-diethylbutane-1-sulfonamide
CID 304056
N,N-dibutylbutane-1-sulfonamide
CID 305461
1-cyano-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 65569577
1-cyano-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65569578
N-(2-cyanoethyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 82903256
N-(2-cyanopropyl)-N-ethyl-4,4,4-trifluorobutane-1-sulfonamide
CID 83058074

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)butane-1-sulfonamide?
The IUPAC name of N,N-bis(2-cyanoethyl)butane-1-sulfonamide (CID 159091240) is N,N-bis(2-cyanoethyl)butane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)butane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)butane-1-sulfonamide is CCCCS(=O)(=O)N(CCC#N)CCC#N.
What is the InChIKey of N,N-bis(2-cyanoethyl)butane-1-sulfonamide?
The InChIKey is KCBWAMCRODCXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-3-10-16(14,15)13(8-4-6-11)9-5-7-12/h2-5,8-10H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)butane-1-sulfonamide?
N,N-bis(2-cyanoethyl)butane-1-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)butane-1-sulfonamide is sourced from PubChem (CID 159091240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).