1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine

C10H17N3O2S — CID 152750264

IUPAC1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H17N3O2S/c11-9-5-1-2-6-10(9,12)16(14,15)13-7-3-4-8-13/h1-2,5-6,9H,3-4,7-8,11-12H2
InChIKeyNMJDNTYIBBKATP-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.48
Rot. Bonds2

About 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine

1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 152750264) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
PubChem CID152750264
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H17N3O2S/c11-9-5-1-2-6-10(9,12)16(14,15)13-7-3-4-8-13/h1-2,5-6,9H,3-4,7-8,11-12H2
InChIKeyNMJDNTYIBBKATP-UHFFFAOYSA-N
XLogP-0.48
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,6-diamino-N,N-diethylcyclohexa-2,4-diene-1-sulfonamide
CID 152748453
1,6-diamino-N,N-dimethylcyclohexa-2,4-diene-1-sulfonamide
CID 152748480
1-Piperidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine
CID 152750203

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine (CID 152750264) is 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is NMJDNTYIBBKATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c11-9-5-1-2-6-10(9,12)16(14,15)13-7-3-4-8-13/h1-2,5-6,9H,3-4,7-8,11-12H2.
What are the key properties of 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine?
1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 243.33 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylsulfonylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 152750264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).