6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide

C12H21N3O2S — CID 63200486

IUPAC6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide
SMILESCCNC(C)C(CC)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C12H21N3O2S/c1-4-11(9(3)14-5-2)12-7-6-10(8-15-12)18(13,16)17/h6-9,11,14H,4-5H2,1-3H3,(H2,13,16,17)
InChIKeyDPKKTHOOHSFTPV-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.22
Rot. Bonds6

About 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide

6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide (PubChem CID 63200486) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide
PubChem CID63200486
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide
SMILESCCNC(C)C(CC)c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C12H21N3O2S/c1-4-11(9(3)14-5-2)12-7-6-10(8-15-12)18(13,16)17/h6-9,11,14H,4-5H2,1-3H3,(H2,13,16,17)
InChIKeyDPKKTHOOHSFTPV-UHFFFAOYSA-N
XLogP1.22
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide (CID 63200486) is 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide is CCNC(C)C(CC)c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide?
The InChIKey is DPKKTHOOHSFTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-11(9(3)14-5-2)12-7-6-10(8-15-12)18(13,16)17/h6-9,11,14H,4-5H2,1-3H3,(H2,13,16,17).
What are the key properties of 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide?
6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 63200486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).