1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide

C10H16N2O3S2 — CID 80589592

IUPAC1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H16N2O3S2/c11-8(16)10(2-3-10)9(13)12-5-7-1-4-17(14,15)6-7/h7H,1-6H2,(H2,11,16)(H,12,13)
InChIKeyQGIODQUXQHKZKG-UHFFFAOYSA-N
MW276.38 g/mol
LogP-0.40
Rot. Bonds4

About 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide

1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 80589592) has the molecular formula C10H16N2O3S2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
PubChem CID80589592
Molecular FormulaC10H16N2O3S2
Molecular Weight276.38 g/mol
Exact Mass276.06
IUPAC Name1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
SMILESNC(=S)C1(C(=O)NCC2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H16N2O3S2/c11-8(16)10(2-3-10)9(13)12-5-7-1-4-17(14,15)6-7/h7H,1-6H2,(H2,11,16)(H,12,13)
InChIKeyQGIODQUXQHKZKG-UHFFFAOYSA-N
XLogP-0.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
1-cyano-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide
CID 80592027
1-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441801
1-carbamothioyl-N-[(1,1-dioxothiolan-2-yl)methyl]cyclopentane-1-carboxamide
CID 81038821
1-carbamothioyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80589199
2-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]butanamide
CID 62131441
2-(4-carbamothioylphenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]acetamide
CID 63612862
N-[(1,1-dioxothiolan-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980232
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168
ethyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 3091624
O-prop-2-enyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamothioate
CID 43827882
6-[(1,1-dioxothiolan-3-yl)methylcarbamoyloxy]hexyl N-[(1,1-dioxothiolan-3-yl)methyl]carbamate
CID 43828162

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide (CID 80589592) is 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide is NC(=S)C1(C(=O)NCC2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QGIODQUXQHKZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S2/c11-8(16)10(2-3-10)9(13)12-5-7-1-4-17(14,15)6-7/h7H,1-6H2,(H2,11,16)(H,12,13).
What are the key properties of 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide?
1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-[(1,1-dioxothiolan-3-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80589592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).