N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide

C14H26N2O2S — CID 103556661

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
SMILESCOC1(CC(=O)N(CCC(N)=S)CC(C)C)CCC1
InChIInChI=1S/C14H26N2O2S/c1-11(2)10-16(8-5-12(15)19)13(17)9-14(18-3)6-4-7-14/h11H,4-10H2,1-3H3,(H2,15,19)
InChIKeyQYZRJTCTFKVSCP-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.11
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide (PubChem CID 103556661) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
PubChem CID103556661
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide
SMILESCOC1(CC(=O)N(CCC(N)=S)CC(C)C)CCC1
InChIInChI=1S/C14H26N2O2S/c1-11(2)10-16(8-5-12(15)19)13(17)9-14(18-3)6-4-7-14/h11H,4-10H2,1-3H3,(H2,15,19)
InChIKeyQYZRJTCTFKVSCP-UHFFFAOYSA-N
XLogP2.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-2-(1-methoxycyclobutyl)acetamide
CID 107491914
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151836
N-ethyl-N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520103
2-(1-methoxycyclobutyl)-N-(2-methylpropoxy)acetamide
CID 103525817
N-(3-amino-3-sulfanylidenepropyl)-2-cyclopropyl-N-(2-methylpropyl)propanamide
CID 83154407
2-[[2-(1-methoxycyclobutyl)acetyl]-propan-2-ylamino]acetic acid
CID 103555539
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
N-(2-amino-2-oxoethoxy)-2-(1-methoxycyclobutyl)acetamide
CID 103526839
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methylbutyl)butanamide
CID 82104231
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-N-(2-methylpropyl)acetamide
CID 76917115
methyl 2-[[2-(1-methoxycyclobutyl)acetyl]-methylamino]acetate
CID 103520057

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide (CID 103556661) is N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide is COC1(CC(=O)N(CCC(N)=S)CC(C)C)CCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide?
The InChIKey is QYZRJTCTFKVSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-11(2)10-16(8-5-12(15)19)13(17)9-14(18-3)6-4-7-14/h11H,4-10H2,1-3H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide has a molecular weight of 286.44 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(1-methoxycyclobutyl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 103556661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).