4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C11H21N3O3S — CID 114284200

IUPAC4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCOC1(C#N)CCN(S(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C11H21N3O3S/c1-10(2)13(3)18(15,16)14-7-5-11(9-12,17-4)6-8-14/h10H,5-8H2,1-4H3
InChIKeySEBOWOVPVPCJDV-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.58
Rot. Bonds4

About 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide

4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 114284200) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID114284200
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCOC1(C#N)CCN(S(=O)(=O)N(C)C(C)C)CC1
InChIInChI=1S/C11H21N3O3S/c1-10(2)13(3)18(15,16)14-7-5-11(9-12,17-4)6-8-14/h10H,5-8H2,1-4H3
InChIKeySEBOWOVPVPCJDV-UHFFFAOYSA-N
XLogP0.58
TPSA73.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 62075219
1-ethyl-4-methoxypiperidine-4-carbonitrile
CID 130519331
3-(aminomethyl)-N,3-dimethyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120777988
1-methoxycycloheptane-1-carbonitrile
CID 15495961
4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 63341236
methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
CID 78971806
N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
CID 130645144
3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 106672575
N-(1-cyanopropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide
CID 63224737
4-(2-chloroethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 82701865
4-(2-bromoethoxy)-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 82700863
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 104976646

Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 114284200) is 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide is COC1(C#N)CCN(S(=O)(=O)N(C)C(C)C)CC1.
What is the InChIKey of 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is SEBOWOVPVPCJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-10(2)13(3)18(15,16)14-7-5-11(9-12,17-4)6-8-14/h10H,5-8H2,1-4H3.
What are the key properties of 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 114284200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).