1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea

C10H20N2OS — CID 103723910

IUPAC1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCC1(C)CC1
InChIInChI=1S/C10H20N2OS/c1-8(6-13-3)12-9(14)11-7-10(2)4-5-10/h8H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyKYDDROGPIPCXNT-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.29
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea

1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea (PubChem CID 103723910) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea
PubChem CID103723910
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea
SMILESCOCC(C)NC(=S)NCC1(C)CC1
InChIInChI=1S/C10H20N2OS/c1-8(6-13-3)12-9(14)11-7-10(2)4-5-10/h8H,4-7H2,1-3H3,(H2,11,12,14)
InChIKeyKYDDROGPIPCXNT-UHFFFAOYSA-N
XLogP1.29
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.29
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-(2-Methoxyethyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 2168462
N-Cyclopropyl-N'-(2-methoxyethyl)thiourea
CID 3249998
1-Butan-2-yl-3-(2-methoxyethyl)thiourea
CID 3669382
1-Butyl-3-(2-methoxyethyl)thiourea
CID 19650659
1-(2-Methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-(2-Methoxyethyl)-3-pentan-2-ylthiourea
CID 19652343
1-(2-Methoxyethyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652816
1-(2-Methoxyethyl)-3-pentan-3-ylthiourea
CID 19652891
1-(3,3-Dimethylbutan-2-yl)-3-(2-methoxyethyl)thiourea
CID 19676393
1-[(2R)-butan-2-yl]-3-(2-methoxyethyl)thiourea
CID 27444129
1-[(2S)-butan-2-yl]-3-(2-methoxyethyl)thiourea
CID 27444130
1-(1-Methoxypropan-2-yl)-3-propylthiourea
CID 43384616

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea (CID 103723910) is 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea is COCC(C)NC(=S)NCC1(C)CC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea?
The InChIKey is KYDDROGPIPCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-8(6-13-3)12-9(14)11-7-10(2)4-5-10/h8H,4-7H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea?
1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea has a molecular weight of 216.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-[(1-methylcyclopropyl)methyl]thiourea is sourced from PubChem (CID 103723910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).