amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol

C13H24N2OS — CID 143624569

IUPACamino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol
SMILESCCCN(CCC)SC1=CCC(C(N)O)C=C1
InChIInChI=1S/C13H24N2OS/c1-3-9-15(10-4-2)17-12-7-5-11(6-8-12)13(14)16/h5,7-8,11,13,16H,3-4,6,9-10,14H2,1-2H3
InChIKeySZRKZVAGUYDSMQ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.49
Rot. Bonds7

About amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol

amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 143624569) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Nameamino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID143624569
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Nameamino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol
SMILESCCCN(CCC)SC1=CCC(C(N)O)C=C1
InChIInChI=1S/C13H24N2OS/c1-3-9-15(10-4-2)17-12-7-5-11(6-8-12)13(14)16/h5,7-8,11,13,16H,3-4,6,9-10,14H2,1-2H3
InChIKeySZRKZVAGUYDSMQ-UHFFFAOYSA-N
XLogP2.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol (CID 143624569) is amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol is CCCN(CCC)SC1=CCC(C(N)O)C=C1.
What is the InChIKey of amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is SZRKZVAGUYDSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-3-9-15(10-4-2)17-12-7-5-11(6-8-12)13(14)16/h5,7-8,11,13,16H,3-4,6,9-10,14H2,1-2H3.
What are the key properties of amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol?
amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 256.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[4-(dipropylamino)sulfanylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 143624569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).