(piperidin-1-ylamino)thiourea

C6H14N4S — CID 119097594

IUPAC(piperidin-1-ylamino)thiourea
SMILESNC(=S)NNN1CCCCC1
InChIInChI=1S/C6H14N4S/c7-6(11)8-9-10-4-2-1-3-5-10/h9H,1-5H2,(H3,7,8,11)
InChIKeyKVEQCJIDOKRMTE-UHFFFAOYSA-N
MW174.27 g/mol
LogP-0.27
Rot. Bonds2

About (piperidin-1-ylamino)thiourea

(piperidin-1-ylamino)thiourea (PubChem CID 119097594) has the molecular formula C6H14N4S and a molecular weight of 174.27 g/mol. Its IUPAC name is (piperidin-1-ylamino)thiourea.

Molecular Properties

Compound Name(piperidin-1-ylamino)thiourea
PubChem CID119097594
Molecular FormulaC6H14N4S
Molecular Weight174.27 g/mol
Exact Mass174.09
IUPAC Name(piperidin-1-ylamino)thiourea
SMILESNC(=S)NNN1CCCCC1
InChIInChI=1S/C6H14N4S/c7-6(11)8-9-10-4-2-1-3-5-10/h9H,1-5H2,(H3,7,8,11)
InChIKeyKVEQCJIDOKRMTE-UHFFFAOYSA-N
XLogP-0.27
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Piperidin-1-yl)thiourea
CID 12106605
N-(Piperidin-1-yl)hydrazinecarbothioamide
CID 40468289
3-Piperidylthiosemicarbazide
CID 129730796
Thiourea, N-cyclohexyl-N'-thioureido-
CID 6420289
(1-Ethylpiperidin-1-ium-1-yl)thiourea
CID 18537278
1-Amino-3-[(4-methylpiperidin-1-yl)amino]thiourea
CID 23043216
1,3-Di(piperidin-1-yl)thiourea
CID 95931545
azanium N-piperidin-1-ylcarbamodithioate
CID 134109590
(2-Piperidin-1-ylethylamino)thiourea
CID 140510618
1-Amino-3-(4-methylpiperidin-1-yl)thiourea
CID 174949231
Piperidin-1-amine;thiourea
CID 175021808
N-piperidin-1-ylcarbamodithioate
CID 21792277

Frequently Asked Questions

What is the IUPAC name of (piperidin-1-ylamino)thiourea?
The IUPAC name of (piperidin-1-ylamino)thiourea (CID 119097594) is (piperidin-1-ylamino)thiourea.
What is the SMILES notation for (piperidin-1-ylamino)thiourea?
The canonical SMILES for (piperidin-1-ylamino)thiourea is NC(=S)NNN1CCCCC1.
What is the InChIKey of (piperidin-1-ylamino)thiourea?
The InChIKey is KVEQCJIDOKRMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4S/c7-6(11)8-9-10-4-2-1-3-5-10/h9H,1-5H2,(H3,7,8,11).
What are the key properties of (piperidin-1-ylamino)thiourea?
(piperidin-1-ylamino)thiourea has a molecular weight of 174.27 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (piperidin-1-ylamino)thiourea is sourced from PubChem (CID 119097594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).