N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide

C15H23N3O3S — CID 171359497

IUPACN-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide
SMILESCN(C[C@H]1CCOC1)c1ncccc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C15H23N3O3S/c1-18(10-13-6-8-21-11-13)15-14(3-2-7-16-15)22(19,20)17-9-12-4-5-12/h2-3,7,12-13,17H,4-6,8-11H2,1H3/t13-/m1/s1
InChIKeyRYHBBBWFVNBMDF-CYBMUJFWSA-N
MW325.43 g/mol
LogP1.24
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide

N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide (PubChem CID 171359497) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide
PubChem CID171359497
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide
SMILESCN(C[C@H]1CCOC1)c1ncccc1S(=O)(=O)NCC1CC1
InChIInChI=1S/C15H23N3O3S/c1-18(10-13-6-8-21-11-13)15-14(3-2-7-16-15)22(19,20)17-9-12-4-5-12/h2-3,7,12-13,17H,4-6,8-11H2,1H3/t13-/m1/s1
InChIKeyRYHBBBWFVNBMDF-CYBMUJFWSA-N
XLogP1.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide (CID 171359497) is N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide is CN(C[C@H]1CCOC1)c1ncccc1S(=O)(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide?
The InChIKey is RYHBBBWFVNBMDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-18(10-13-6-8-21-11-13)15-14(3-2-7-16-15)22(19,20)17-9-12-4-5-12/h2-3,7,12-13,17H,4-6,8-11H2,1H3/t13-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide?
N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide has a molecular weight of 325.43 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[methyl-[[(3R)-oxolan-3-yl]methyl]amino]pyridine-3-sulfonamide is sourced from PubChem (CID 171359497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).