1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea

C14H15N3OS — CID 62667648

IUPAC1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
SMILESNC(=S)CCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H15N3OS/c15-13(19)8-9-16-14(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,15,19)(H2,16,17,18)
InChIKeyCBFVXEBQVHJPCG-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea

1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea (PubChem CID 62667648) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
PubChem CID62667648
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
SMILESNC(=S)CCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C14H15N3OS/c15-13(19)8-9-16-14(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,15,19)(H2,16,17,18)
InChIKeyCBFVXEBQVHJPCG-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
naphthalen-1-ylurea;hydrochloride
CID 141142203
2-hydroxy-3-(naphthalen-1-ylcarbamoylamino)propanamide
CID 107258515
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea (CID 62667648) is 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea is NC(=S)CCNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea?
The InChIKey is CBFVXEBQVHJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-13(19)8-9-16-14(18)17-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H2,15,19)(H2,16,17,18).
What are the key properties of 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea?
1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea has a molecular weight of 273.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 62667648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).