N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine

C10H24NO3PS — CID 126559530

IUPACN,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine
SMILESCCCOP(=O)(OC(C)(C)C)SCN(C)C
InChIInChI=1S/C10H24NO3PS/c1-7-8-13-15(12,14-10(2,3)4)16-9-11(5)6/h7-9H2,1-6H3
InChIKeyQTZCCYSMKCJOIH-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.59
Rot. Bonds7

About N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine

N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine (PubChem CID 126559530) has the molecular formula C10H24NO3PS and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine
PubChem CID126559530
Molecular FormulaC10H24NO3PS
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC NameN,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine
SMILESCCCOP(=O)(OC(C)(C)C)SCN(C)C
InChIInChI=1S/C10H24NO3PS/c1-7-8-13-15(12,14-10(2,3)4)16-9-11(5)6/h7-9H2,1-6H3
InChIKeyQTZCCYSMKCJOIH-UHFFFAOYSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-[(2-methylpropan-2-yl)oxy-pentan-2-yloxyphosphoryl]sulfanylethanamine
CID 130474468
2-dipropoxyphosphoryl-2-methylpropane
CID 58435824
diiodo propyl phosphate
CID 175578929
1-[prop-2-enylsulfanyl(propoxy)phosphoryl]oxypropane
CID 57288582
2-methyl-2-[(2-methylpropan-2-yl)oxy-propylphosphoryl]oxypropane
CID 91347347
ditert-butyl [(E)-octadec-9-enyl] phosphate
CID 87076842
2-[2-[bis[(2-methylpropan-2-yl)oxy]phosphoryloxy]ethylamino]ethyl ditert-butyl phosphate
CID 88578447
1-[bis[(2-methylpropan-2-yl)oxy]phosphoryl]butane
CID 140980229
1-[methyl(propoxy)phosphoryl]oxypropane
CID 566276
N-[methoxy(propoxy)phosphoryl]-N-methylmethanamine
CID 541932
1-[butylsulfanyl(hexoxy)phosphoryl]oxyhexane
CID 170848700
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine?
The IUPAC name of N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine (CID 126559530) is N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine.
What is the SMILES notation for N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine?
The canonical SMILES for N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine is CCCOP(=O)(OC(C)(C)C)SCN(C)C.
What is the InChIKey of N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine?
The InChIKey is QTZCCYSMKCJOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24NO3PS/c1-7-8-13-15(12,14-10(2,3)4)16-9-11(5)6/h7-9H2,1-6H3.
What are the key properties of N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine?
N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine has a molecular weight of 269.35 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(2-methylpropan-2-yl)oxy-propoxyphosphoryl]sulfanylmethanamine is sourced from PubChem (CID 126559530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).