(2-piperidin-1-ylethylamino)thiourea

C8H18N4S — CID 140510618

IUPAC(2-piperidin-1-ylethylamino)thiourea
SMILESNC(=S)NNCCN1CCCCC1
InChIInChI=1S/C8H18N4S/c9-8(13)11-10-4-7-12-5-2-1-3-6-12/h10H,1-7H2,(H3,9,11,13)
InChIKeyJVVRKEWOAKIRCB-UHFFFAOYSA-N
MW202.33 g/mol
LogP-0.19
Rot. Bonds4

About (2-piperidin-1-ylethylamino)thiourea

(2-piperidin-1-ylethylamino)thiourea (PubChem CID 140510618) has the molecular formula C8H18N4S and a molecular weight of 202.33 g/mol. Its IUPAC name is (2-piperidin-1-ylethylamino)thiourea.

Molecular Properties

Compound Name(2-piperidin-1-ylethylamino)thiourea
PubChem CID140510618
Molecular FormulaC8H18N4S
Molecular Weight202.33 g/mol
Exact Mass202.13
IUPAC Name(2-piperidin-1-ylethylamino)thiourea
SMILESNC(=S)NNCCN1CCCCC1
InChIInChI=1S/C8H18N4S/c9-8(13)11-10-4-7-12-5-2-1-3-6-12/h10H,1-7H2,(H3,9,11,13)
InChIKeyJVVRKEWOAKIRCB-UHFFFAOYSA-N
XLogP-0.19
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Piperidinoethyl)-3-thiosemicarbazide
CID 2760462
N-(Piperidin-1-yl)hydrazinecarbothioamide
CID 40468289
Piperidinothiosemicarbazide
CID 119097594
3-Piperidylthiosemicarbazide
CID 129730796
(1-Ethylpiperidin-1-ium-1-yl)thiourea
CID 18537278
[2-(1-Methylpiperazin-1-ium-1-yl)ethylamino]thiourea
CID 53675211
[2-(2-Methylpiperazin-1-yl)ethylamino]thiourea
CID 57004209
Acetonitrile;(piperidin-3-ylamino)thiourea
CID 175347999
1-Amino-3-(2-piperidin-1-ium-1-ylethyl)thiourea
CID 7161131
1-Amino-3-(1-ethylpiperidin-3-yl)thiourea
CID 61480354
1-Amino-3-(1-piperidin-1-ylpropan-2-yl)thiourea
CID 61499988
1-Amino-3-(2-piperidin-1-ylpropyl)thiourea
CID 61863527

Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylethylamino)thiourea?
The IUPAC name of (2-piperidin-1-ylethylamino)thiourea (CID 140510618) is (2-piperidin-1-ylethylamino)thiourea.
What is the SMILES notation for (2-piperidin-1-ylethylamino)thiourea?
The canonical SMILES for (2-piperidin-1-ylethylamino)thiourea is NC(=S)NNCCN1CCCCC1.
What is the InChIKey of (2-piperidin-1-ylethylamino)thiourea?
The InChIKey is JVVRKEWOAKIRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4S/c9-8(13)11-10-4-7-12-5-2-1-3-6-12/h10H,1-7H2,(H3,9,11,13).
What are the key properties of (2-piperidin-1-ylethylamino)thiourea?
(2-piperidin-1-ylethylamino)thiourea has a molecular weight of 202.33 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylethylamino)thiourea is sourced from PubChem (CID 140510618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).