N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide

C19H30N4O2S — CID 133396182

IUPACN-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESCC1CCCN1C1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1
InChIInChI=1S/C19H30N4O2S/c1-15-3-2-10-23(15)17-8-11-22(12-9-17)19-7-6-18(14-20-19)26(24,25)21-13-16-4-5-16/h6-7,14-17,21H,2-5,8-13H2,1H3
InChIKeyVYDMJLAERCPTAN-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.22
Rot. Bonds6

About N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide

N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 133396182) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID133396182
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESCC1CCCN1C1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1
InChIInChI=1S/C19H30N4O2S/c1-15-3-2-10-23(15)17-8-11-22(12-9-17)19-7-6-18(14-20-19)26(24,25)21-13-16-4-5-16/h6-7,14-17,21H,2-5,8-13H2,1H3
InChIKeyVYDMJLAERCPTAN-UHFFFAOYSA-N
XLogP2.22
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide (CID 133396182) is N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide is CC1CCCN1C1CCN(c2ccc(S(=O)(=O)NCC3CC3)cn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is VYDMJLAERCPTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-15-3-2-10-23(15)17-8-11-22(12-9-17)19-7-6-18(14-20-19)26(24,25)21-13-16-4-5-16/h6-7,14-17,21H,2-5,8-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide?
N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133396182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).