(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C15H30N4O3S — CID 95129932

IUPAC(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCN(CCCNC(=O)N1CCC[C@@H](N2CCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C15H30N4O3S/c1-17(23(2,21)22)9-6-8-16-15(20)19-12-5-7-14(13-19)18-10-3-4-11-18/h14H,3-13H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyUQVRUOQYWCBFBN-CQSZACIVSA-N
MW346.50 g/mol
LogP0.54
Rot. Bonds6

About (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 95129932) has the molecular formula C15H30N4O3S and a molecular weight of 346.50 g/mol. Its IUPAC name is (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID95129932
Molecular FormulaC15H30N4O3S
Molecular Weight346.50 g/mol
Exact Mass346.20
IUPAC Name(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCN(CCCNC(=O)N1CCC[C@@H](N2CCCC2)C1)S(C)(=O)=O
InChIInChI=1S/C15H30N4O3S/c1-17(23(2,21)22)9-6-8-16-15(20)19-12-5-7-14(13-19)18-10-3-4-11-18/h14H,3-13H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyUQVRUOQYWCBFBN-CQSZACIVSA-N
XLogP0.54
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-[3-[methyl(methylsulfonyl)amino]propyl]piperidine-1,3-dicarboxamide
CID 71896140
(2S)-2-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]morpholine-4-carboxamide
CID 94120610
(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
CID 106039371
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)oxyacetic acid
CID 113498355
N-(3-hydroxypropyl)-N-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-sulfonamide
CID 79924715
N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
N-propyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140489
N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide
CID 75420102
N-[2-(4-tert-butylphenyl)sulfonylethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 127309593
(1S,6R)-N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 100859906
N-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 71868032

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 95129932) is (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is CN(CCCNC(=O)N1CCC[C@@H](N2CCCC2)C1)S(C)(=O)=O.
What is the InChIKey of (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is UQVRUOQYWCBFBN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30N4O3S/c1-17(23(2,21)22)9-6-8-16-15(20)19-12-5-7-14(13-19)18-10-3-4-11-18/h14H,3-13H2,1-2H3,(H,16,20)/t14-/m1/s1.
What are the key properties of (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
(3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-[methyl(methylsulfonyl)amino]propyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 95129932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).