amino-carbamothioyl-methyl-(2-methylpropyl)azanium

C6H16N3S+ — CID 20849976

IUPACamino-carbamothioyl-methyl-(2-methylpropyl)azanium
SMILESCC(C)C[N+](C)(N)C(N)=S
InChIInChI=1S/C6H15N3S/c1-5(2)4-9(3,8)6(7)10/h5H,4,8H2,1-3H3,(H-,7,10)/p+1
InChIKeySOGRCPVNMXMJIF-UHFFFAOYSA-O
MW162.28 g/mol
LogP0.21
Rot. Bonds2

About amino-carbamothioyl-methyl-(2-methylpropyl)azanium

amino-carbamothioyl-methyl-(2-methylpropyl)azanium (PubChem CID 20849976) has the molecular formula C6H16N3S+ and a molecular weight of 162.28 g/mol. Its IUPAC name is amino-carbamothioyl-methyl-(2-methylpropyl)azanium.

Molecular Properties

Compound Nameamino-carbamothioyl-methyl-(2-methylpropyl)azanium
PubChem CID20849976
Molecular FormulaC6H16N3S+
Molecular Weight162.28 g/mol
Exact Mass162.11
IUPAC Nameamino-carbamothioyl-methyl-(2-methylpropyl)azanium
SMILESCC(C)C[N+](C)(N)C(N)=S
InChIInChI=1S/C6H15N3S/c1-5(2)4-9(3,8)6(7)10/h5H,4,8H2,1-3H3,(H-,7,10)/p+1
InChIKeySOGRCPVNMXMJIF-UHFFFAOYSA-O
XLogP0.21
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Amino-1-(3-methylbutyl)thiourea
CID 20849967
1-Amino-1-butylthiourea
CID 22301220
1-Amino-1-propylthiourea
CID 22301223
1-(2-Methylpropyl)hydrazine-1-carbothioamide
CID 55290675
1-Amino-1-(cyclopropylmethyl)thiourea
CID 87250355
1-Amino-1-[3-(diethylamino)propyl]thiourea
CID 87317226
1-Amino-1-[3-(dimethylamino)propyl]thiourea
CID 88499732
1-(Carbamothioylamino)-1-[3-(dimethylamino)propyl]thiourea
CID 90934409
3-Methyl-1-(methylamino)-1-(2-methylpropyl)thiourea
CID 91028744
Amino-butyl-carbamothioyl-methylazanium
CID 20849954
Amino-butan-2-yl-carbamothioyl-methylazanium
CID 20849975
1-(Dimethylamino)-3-(2-methylpropyl)thiourea
CID 112682951

Frequently Asked Questions

What is the IUPAC name of amino-carbamothioyl-methyl-(2-methylpropyl)azanium?
The IUPAC name of amino-carbamothioyl-methyl-(2-methylpropyl)azanium (CID 20849976) is amino-carbamothioyl-methyl-(2-methylpropyl)azanium.
What is the SMILES notation for amino-carbamothioyl-methyl-(2-methylpropyl)azanium?
The canonical SMILES for amino-carbamothioyl-methyl-(2-methylpropyl)azanium is CC(C)C[N+](C)(N)C(N)=S.
What is the InChIKey of amino-carbamothioyl-methyl-(2-methylpropyl)azanium?
The InChIKey is SOGRCPVNMXMJIF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H15N3S/c1-5(2)4-9(3,8)6(7)10/h5H,4,8H2,1-3H3,(H-,7,10)/p+1.
What are the key properties of amino-carbamothioyl-methyl-(2-methylpropyl)azanium?
amino-carbamothioyl-methyl-(2-methylpropyl)azanium has a molecular weight of 162.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-carbamothioyl-methyl-(2-methylpropyl)azanium is sourced from PubChem (CID 20849976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).