N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide

C15H25N3O2S — CID 106607621

IUPACN-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
SMILESCC(C)N(CC1CCCN1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H25N3O2S/c1-13(2)18(12-15-7-5-10-17-15)21(19,20)11-8-14-6-3-4-9-16-14/h3-4,6,9,13,15,17H,5,7-8,10-12H2,1-2H3
InChIKeyNDSZRYCDDPXECT-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds7

About N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide

N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide (PubChem CID 106607621) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
PubChem CID106607621
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
SMILESCC(C)N(CC1CCCN1)S(=O)(=O)CCc1ccccn1
InChIInChI=1S/C15H25N3O2S/c1-13(2)18(12-15-7-5-10-17-15)21(19,20)11-8-14-6-3-4-9-16-14/h3-4,6,9,13,15,17H,5,7-8,10-12H2,1-2H3
InChIKeyNDSZRYCDDPXECT-UHFFFAOYSA-N
XLogP1.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
N-ethyl-3-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608852
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106616436
N-(3-bromopropyl)-N-propan-2-yl-2-pyridin-2-ylethanesulfonamide
CID 80673058
1-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 106607531
2-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propane-2-sulfonamide
CID 106607636
methyl 3-[propan-2-yl(pyrrolidin-2-ylmethyl)sulfamoyl]propanoate
CID 106607628
N-(2-chloroethyl)-N-pentan-3-yl-2-pyridin-2-ylethanesulfonamide
CID 63400421
N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
The IUPAC name of N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide (CID 106607621) is N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide is CC(C)N(CC1CCCN1)S(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
The InChIKey is NDSZRYCDDPXECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-13(2)18(12-15-7-5-10-17-15)21(19,20)11-8-14-6-3-4-9-16-14/h3-4,6,9,13,15,17H,5,7-8,10-12H2,1-2H3.
What are the key properties of N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide?
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 106607621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).