1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

C12H24N4O3S — CID 63143423

IUPAC1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCNC1
InChIInChI=1S/C12H24N4O3S/c1-12(4-5-14-9-12)11(17)16-6-2-3-10(8-16)7-15-20(13,18)19/h10,14-15H,2-9H2,1H3,(H2,13,18,19)
InChIKeyIYEDAHQXMZNZJN-UHFFFAOYSA-N
MW304.42 g/mol
LogP-0.98
Rot. Bonds4

About 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 63143423) has the molecular formula C12H24N4O3S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID63143423
Molecular FormulaC12H24N4O3S
Molecular Weight304.42 g/mol
Exact Mass304.16
IUPAC Name1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESCC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCNC1
InChIInChI=1S/C12H24N4O3S/c1-12(4-5-14-9-12)11(17)16-6-2-3-10(8-16)7-15-20(13,18)19/h10,14-15H,2-9H2,1H3,(H2,13,18,19)
InChIKeyIYEDAHQXMZNZJN-UHFFFAOYSA-N
XLogP-0.98
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

13-acetyl-N,N-dimethyl-4-oxo-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-sulfonamide
CID 118738720
N-methyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 4281760
1-[(3,5-Dimethylpiperidin-1-YL)sulfonyl]-N-[3-(pyrrolidin-1-YL)propyl]piperidine-3-carboxamide
CID 4287697
N-[3-(diethylamino)-2-methylpropyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 5090998
N-[3-(3,5-Dimethylpiperidin-1-YL)propyl]-1-(pyrrolidine-1-sulfonyl)piperidine-3-carboxamide
CID 15999462
N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide
CID 156601508
(3S)-3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-1-sulfonamide
CID 94811016
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 3280107
1-[(4-Methylpiperidin-1-YL)sulfonyl]-N-[3-(pyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 3366587
N-butyl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4072231
N-(3-methylbutyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 4694318
N-[3-(4-methylpiperidin-1-yl)propyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 15996428

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 63143423) is 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is CC1(C(=O)N2CCCC(CNS(N)(=O)=O)C2)CCNC1.
What is the InChIKey of 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is IYEDAHQXMZNZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3S/c1-12(4-5-14-9-12)11(17)16-6-2-3-10(8-16)7-15-20(13,18)19/h10,14-15H,2-9H2,1H3,(H2,13,18,19).
What are the key properties of 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 304.42 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidine-3-carbonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 63143423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).