5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine

C11H17ClN4O2S — CID 75441729

IUPAC5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
SMILESCN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1
InChIInChI=1S/C11H17ClN4O2S/c1-15-3-2-4-16(6-5-15)19(17,18)10-7-9(12)8-14-11(10)13/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyOZHVCHIIICVRQR-UHFFFAOYSA-N
MW304.80 g/mol
LogP0.64
Rot. Bonds2

About 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine

5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine (PubChem CID 75441729) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
PubChem CID75441729
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
SMILESCN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1
InChIInChI=1S/C11H17ClN4O2S/c1-15-3-2-4-16(6-5-15)19(17,18)10-7-9(12)8-14-11(10)13/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyOZHVCHIIICVRQR-UHFFFAOYSA-N
XLogP0.64
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine (CID 75441729) is 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine is CN1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)CC1.
What is the InChIKey of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
The InChIKey is OZHVCHIIICVRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2S/c1-15-3-2-4-16(6-5-15)19(17,18)10-7-9(12)8-14-11(10)13/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine?
5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine has a molecular weight of 304.80 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine is sourced from PubChem (CID 75441729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).