N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide

C8H18N2O2S — CID 130645144

IUPACN,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)9(4)13(11,12)10-5-8(3)6-10/h7-8H,5-6H2,1-4H3
InChIKeyNYNZMJQVTXWQSL-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.52
Rot. Bonds3

About N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide

N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide (PubChem CID 130645144) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
PubChem CID130645144
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC NameN,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)C(C)C)C1
InChIInChI=1S/C8H18N2O2S/c1-7(2)9(4)13(11,12)10-5-8(3)6-10/h7-8H,5-6H2,1-4H3
InChIKeyNYNZMJQVTXWQSL-UHFFFAOYSA-N
XLogP0.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 106672575
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 104976646
3-hydroxy-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 62917299
(3S)-3-amino-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 94340197
3-methyl-1-propan-2-ylsulfonylazetidine
CID 59266025
3-(bromomethyl)-N-methyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 80674172
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
(3S,4R)-3-amino-N-methyl-4-phenyl-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 120767038
4-cyano-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 62075219
N,N-dimethyl-3-propan-2-ylazetidine-1-sulfonamide
CID 71124408
2-(chloromethyl)-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide
CID 81212094
N,3,5-trimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]piperidine-1-sulfonamide
CID 134002636

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide?
The IUPAC name of N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide (CID 130645144) is N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide is CC1CN(S(=O)(=O)N(C)C(C)C)C1.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide?
The InChIKey is NYNZMJQVTXWQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(2)9(4)13(11,12)10-5-8(3)6-10/h7-8H,5-6H2,1-4H3.
What are the key properties of N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide?
N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylazetidine-1-sulfonamide is sourced from PubChem (CID 130645144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).