(1-methylpiperidin-4-yl)thiourea

C7H15N3S — CID 23041969

IUPAC(1-methylpiperidin-4-yl)thiourea
SMILESCN1CCC(NC(N)=S)CC1
InChIInChI=1S/C7H15N3S/c1-10-4-2-6(3-5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11)
InChIKeyMSTNCTVIENDXHQ-UHFFFAOYSA-N
MW173.28 g/mol
LogP-0.09
Rot. Bonds1

About (1-methylpiperidin-4-yl)thiourea

(1-methylpiperidin-4-yl)thiourea (PubChem CID 23041969) has the molecular formula C7H15N3S and a molecular weight of 173.28 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)thiourea
PubChem CID23041969
Molecular FormulaC7H15N3S
Molecular Weight173.28 g/mol
Exact Mass173.10
IUPAC Name(1-methylpiperidin-4-yl)thiourea
SMILESCN1CCC(NC(N)=S)CC1
InChIInChI=1S/C7H15N3S/c1-10-4-2-6(3-5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11)
InChIKeyMSTNCTVIENDXHQ-UHFFFAOYSA-N
XLogP-0.09
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclopropyl-3-(1-methylpiperidin-4-yl)thiourea
CID 970803
1-Cyclohexyl-1,3-diazinane-2-thione
CID 2806812
2-Thiono-4,6-dimethyltetrahydropyrimidin
CID 3627657
1-Piperidinecarbothioamide, N-methyl-
CID 698350
1-Cyclopentyl-3-(1-propylpiperidin-4-yl)thiourea
CID 971669
3-Cyclohexyl-1-methyl-1-(1-methylpiperidin-4-yl)thiourea
CID 974776
N-cyclopentyl-2-methylpiperidine-1-carbothioamide
CID 2960835
Piperidinomethyl thiourea
CID 12106595
2-Thiono-6-methyltetrahydropyrimidin
CID 14122811
N-butylpiperidine-1-carbothioamide
CID 19653673
1-(Propan-2-yl)tetrahydropyrimidine-2(1H)-thione
CID 12410418
1-Ethyltetrahydropyrimidine-2(1H)-thione
CID 12504511

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)thiourea?
The IUPAC name of (1-methylpiperidin-4-yl)thiourea (CID 23041969) is (1-methylpiperidin-4-yl)thiourea.
What is the SMILES notation for (1-methylpiperidin-4-yl)thiourea?
The canonical SMILES for (1-methylpiperidin-4-yl)thiourea is CN1CCC(NC(N)=S)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl)thiourea?
The InChIKey is MSTNCTVIENDXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3S/c1-10-4-2-6(3-5-10)9-7(8)11/h6H,2-5H2,1H3,(H3,8,9,11).
What are the key properties of (1-methylpiperidin-4-yl)thiourea?
(1-methylpiperidin-4-yl)thiourea has a molecular weight of 173.28 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)thiourea is sourced from PubChem (CID 23041969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).