N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide

C10H21N3O2S — CID 119981830

IUPACN-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)CC2CC2)CCN1
InChIInChI=1S/C10H21N3O2S/c1-9-7-13(6-5-11-9)16(14,15)12(2)8-10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyOZZJKTFUILIYFR-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.13
Rot. Bonds4

About N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide

N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide (PubChem CID 119981830) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide
PubChem CID119981830
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC NameN-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide
SMILESCC1CN(S(=O)(=O)N(C)CC2CC2)CCN1
InChIInChI=1S/C10H21N3O2S/c1-9-7-13(6-5-11-9)16(14,15)12(2)8-10-3-4-10/h9-11H,3-8H2,1-2H3
InChIKeyOZZJKTFUILIYFR-UHFFFAOYSA-N
XLogP-0.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119961510
(3S)-N,3-dimethyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 104976646
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
N,4-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716571
N-methyl-N-(oxan-4-ylmethyl)piperazine-1-sulfonamide
CID 63713108
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 114810914
(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 104978207
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 106607328
3-methyl-1-(oxolan-3-ylmethylsulfonyl)piperazine
CID 119981822

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide (CID 119981830) is N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide is CC1CN(S(=O)(=O)N(C)CC2CC2)CCN1.
What is the InChIKey of N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide?
The InChIKey is OZZJKTFUILIYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-9-7-13(6-5-11-9)16(14,15)12(2)8-10-3-4-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide?
N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide has a molecular weight of 247.36 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N,3-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 119981830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).