[amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium

C10H18N7S+ — CID 1419904

IUPAC[amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium
SMILESNC(=[NH2+])SCc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C10H17N7S/c11-8(12)18-6-7-14-9(13)16-10(15-7)17-4-2-1-3-5-17/h1-6H2,(H3,11,12)(H2,13,14,15,16)/p+1
InChIKeyKGIAZRLDNRGJQF-UHFFFAOYSA-O
MW268.37 g/mol
LogP-1.25
Rot. Bonds3

About [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium

[amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium (PubChem CID 1419904) has the molecular formula C10H18N7S+ and a molecular weight of 268.37 g/mol. Its IUPAC name is [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium.

Molecular Properties

Compound Name[amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium
PubChem CID1419904
Molecular FormulaC10H18N7S+
Molecular Weight268.37 g/mol
Exact Mass268.13
IUPAC Name[amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium
SMILESNC(=[NH2+])SCc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C10H17N7S/c11-8(12)18-6-7-14-9(13)16-10(15-7)17-4-2-1-3-5-17/h1-6H2,(H3,11,12)(H2,13,14,15,16)/p+1
InChIKeyKGIAZRLDNRGJQF-UHFFFAOYSA-O
XLogP-1.25
TPSA119.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium with MolForge

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Related Compounds

4-(benzenesulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 101077299
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80764933
4-(benzylsulfonylsulfanylmethyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 101455332
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80884149
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-[3-(4-methoxyphenyl)propyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 143533585
4-[(1-methylimidazol-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 79738256
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252
1-(4-amino-6-propyl-1,3,5-triazin-2-yl)-4-methylpiperidin-4-ol
CID 112746292
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80778498

Frequently Asked Questions

What is the IUPAC name of [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium?
The IUPAC name of [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium (CID 1419904) is [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium.
What is the SMILES notation for [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium?
The canonical SMILES for [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium is NC(=[NH2+])SCc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium?
The InChIKey is KGIAZRLDNRGJQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17N7S/c11-8(12)18-6-7-14-9(13)16-10(15-7)17-4-2-1-3-5-17/h1-6H2,(H3,11,12)(H2,13,14,15,16)/p+1.
What are the key properties of [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium?
[amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium has a molecular weight of 268.37 g/mol, XLogP of -1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]methylidene]azanium is sourced from PubChem (CID 1419904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).