1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea

C10H22N4S — CID 43118346

IUPAC1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea
SMILESCC1CCCCN1CCCNC(=S)NN
InChIInChI=1S/C10H22N4S/c1-9-5-2-3-7-14(9)8-4-6-12-10(15)13-11/h9H,2-8,11H2,1H3,(H2,12,13,15)
InChIKeyNZMZQGKOKCSXBV-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.59
Rot. Bonds4

About 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea

1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea (PubChem CID 43118346) has the molecular formula C10H22N4S and a molecular weight of 230.38 g/mol. Its IUPAC name is 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea
PubChem CID43118346
Molecular FormulaC10H22N4S
Molecular Weight230.38 g/mol
Exact Mass230.16
IUPAC Name1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea
SMILESCC1CCCCN1CCCNC(=S)NN
InChIInChI=1S/C10H22N4S/c1-9-5-2-3-7-14(9)8-4-6-12-10(15)13-11/h9H,2-8,11H2,1H3,(H2,12,13,15)
InChIKeyNZMZQGKOKCSXBV-UHFFFAOYSA-N
XLogP0.59
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea?
The IUPAC name of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea (CID 43118346) is 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea.
What is the SMILES notation for 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea?
The canonical SMILES for 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea is CC1CCCCN1CCCNC(=S)NN.
What is the InChIKey of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea?
The InChIKey is NZMZQGKOKCSXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4S/c1-9-5-2-3-7-14(9)8-4-6-12-10(15)13-11/h9H,2-8,11H2,1H3,(H2,12,13,15).
What are the key properties of 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea?
1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea has a molecular weight of 230.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(2-methylpiperidin-1-yl)propyl]thiourea is sourced from PubChem (CID 43118346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).